Hans H. Jaffé
1919 - 1989
H.H. Jaffé.
Photo courtesy and © M. Orchin
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Hans H. Jaffé
was born in Marburg, Germany in 1919 and immigrated to the
United States in 1940. He received a
bachelor's degree in chemistry at
the University of Iowa in 1941,
earned his master's degree at Purdue in 1942, then obtained his
doctoral degree under Oscar Rice at the
University of North Carolina.
Jaffé served as the director of
graduate studies in the chemistry
department from 1962-1966 when
he became department head. Jaffe
held that post until 1971.
... [more CV details] ...
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H.H. Jaffé,
photo from a local newspaper, © ; 1989.
|
by William B. Jensen, Editor of "The Chemical Bond",
No. 22, 1988-1989, Department of Chemistry, University of Cincinnati.
|
The following texts are all taken from :
The Chemical Bond,
No. 22, 1988-1989,
published by the
Department of Chemistry,
University of Cincinnati.
Editor: William B.Jensen.
Editorial Assistant: Kathy Orchin.
All Jaffé materials presented here
were furnished by M. Orchin.
A Tribute to Hans Jaffé
by Milton Orchin (1989),
Distinguished Service Professor, Emeritus
H.H. Jaffé teaching MO in 1964. © Dept.Chem., UCin.
|
I never had him in any class, but he was the best teacher I ever
had. Hans and I worked together on five books and several
research papers and in the process, whatever the scientific
contribution, our collaboration provided a source of amusement
for residents of the old chemistry building. External
reports of explosions and minor earthquakes were shrugged
off by the building residents with the casual comment, "Don't
worry, they are just at it again." Many of our so-called discussions
were held in the basement of Old Chemistry where, with
uncharacteristic prescience, I had my office and lab at the
time. Hans was forever leaning back in a swivel chair and
frequently, unable to cope with the aging chair's changing
center of gravity, he would collapse backward along with the
chair. Under the best of circumstances, he is not a mild
mannered man, but on these occasions the decibels of his G.I.
vocabulary would soar and I would feel grateful for the safcty
of a basement shelter.
|
Hans Jaffé was born in Marburg, Germany, on 17 April
1919. He received his primary and secondary schooling in the
Berlin area and in 1937-38 attended the Technische Hochschule
of Berlin. His family was forced out of Germany in 1939 and
settled briefly in Caracas, Venezuela. After immigrating to
the U.S. in 1940, Hans attended the
State University of Iowa
and after a year received his B.S. degree in Chemistry in 1941.
He then went to
Purdue University and obtained his M.S.
degree there in 1942. During World War II, from 1943-1945,
he served in the U.S. Army as a medical laboratory technician
in charge of clinical chemistry and toxicology at a 2000 bed
hospital on the island of
Saipan.
In 1948, he resumed his
education, this time at the
University of North Carolina and
received his Ph.D. degree in Physical Chemistry in 1952,
while simultaneously working in the U.S. Public Health
Service in Chapel Hill. He came to the University of Cincinnati
in 1954 as an Assistant Professor, became Associate Professor
in 1958 and Full Professor in 1961. He served as Department
Head from 1965 to 1971, succeeding Thomas B. Cameron.
Hans Jaffé's work is widely appreciated. His major interest
has been with the mathematical description of the electron
density in organic molecules and how this electron distribution
affects the properties of such molecules; in short, molecular
orbital theory. At the frontier of this subdiscipline one
must have a sophisticated knowledge of quantum mechanics,
physical, and organic chemistry, chemical physics,
mathematics, symmetry, and molecular structure, along with
advanced computational skills.
In writing our first book together, Theory and Application
of Ultraviolet Spectroscopy,
{ set bold by this website }
I was continually amazed to find
that the theories he developed independently and, as was his
wont, without reference to any source, turned out to be the
accepted theories which had been proposed earlier in various
fields by Einstein, Wigner, Pauling, Coulson, and Platt. Hans
is the most original thinker I have ever personally encountered.
It took us about three years to write the book.
Toward the end we decided we needed a long period of uninterrupted
concentration to finish it off. We rented a motel room on
Reading Road near the Carrousel but immediately north of the
City Corporation line so we could honestly claim that we were
out of town. We spent five 18-hour working days closeted in
that room. At one impasse, after having successively torn up
three drafts of each other's version of one complicated
passage, Hans, in exasperation, told me to write a final version
which he would accept without argument, but cautioned me to
be fair to his ideas. After several hours, I presented him with
the final version. He read it carefully as I anxiously watched
him for expressions of approbation or disapproval. When
finished, he turned to me and said, "Milt, this is beautiful!
Everything is clear except the explanation!" In about 1969 I
happened to be visiting the Weizmann Institute in Israel at the
same time that
George Porter, who had recently received the
Nobel Prize in chemistry, was presenting a seminar. During
the course of his talk, he referred to our book as the "Bible of
Ultraviolet Spectroscopy". The book has gone through five
printings and has been translated into all the languages used to
teach advanced chemistry. After the publication of our other
books, it became known as the "Old Testament".
|
Jaffé and Orchin in 1964
Undigging S O S and a new Chem. Dept.
© Dept.Chem., UCin.
|
Hans has published more than 160 quality research papers
either alone or with his students. He has worked with about 30
Ph.D. students and a larger proportion of his students have
gone on to college teaching than any other chemistry faculty
member. This tremendous productivity is remarkable when
one considers that Hans is essentially a theoretician rather
than an experimentalist. He has lectured at important institutions
around the world and has received many honors, including
named lectureships at major universities, the Bronze
Medal from the University of Helsinki, and the Morley Medal
of the American Chemical Society. I would guess that one of
the honors which he particularly treasures is from the Publishers
of the Science Citation Index, who noted that on three
different occasions, with three different publications, he was
identified as one of the most cited authors in all of chemistry.
{ set bold by this website }.
Those of you who know Hans are aware of his idiosyncratic
dress and behavior. I doubt that he owns a pair of shoes
or a pair of socks that aren't white. He has this long flowing,
white ill-kept beard which he constantly tugs on and which,
on close inspection, is likely to reveal evidence of his most
recent gourmet meal in Paris. Despite his imposing paunch,
he is quite nimble. During the court trial surrounding the
disqualification of a Kentucky Derby winner for drug use at
which he testified as an expert witness, he was described by a
nationally syndicated reporter as the dancing Santa Claus as
he gracefully maneuvered around the many microphone wires
on the floor.
Only those who know him well know that Hans can teach
mathematics to a mathematician, physics to a physicist,
minerology to a geologist, computer programming to a computer
specialist, car racing to a racing car driver, French to a Frenchman
and Spanish to a Spaniard. What might sound uncharacteristic,
and what might come as a surprise to even those who
know him, is that on returning after each sabbatical, he faithfully
reported to the Dean on his activities during that period
in conformity with a regulation that is rarely adhered to, let
alone enforced, but which he felt important to observe.
H.H. Jaffé, around 1989
© Dept.Chem., UCin. |
I don't think Hans could visualize living his life outside of
academe. He is in fact what we dream of being - the quintessential
academic: brilliant, productive, original, an outstanding
teacher, fiercely independent, highly disciplined, responsible,
always sought but never bought, always available for
advice and consultation. He has earned our affection and
admiration. He has brought great distinction to the Department
of Chemistry, to the
McMicken College of Arts & Sciences,
and to the University of Cincinnati. May he
continue to be himself for many more years. |
... top of page ...
Hans H. Jaffé :
A Chronology of Activities and Honors
Year Age Event
1919 Born in Marburg, Germany
1937 18 Attended the Berlin Technische Hochschule
(until 1938).
1941 22 B.S. Degree in Chemistry, University of
Iowa.
1942 23 M.S. Degree in Physical Chemistry, Purdue
University, under Henry Hass.
1943 24 Service in the U.S. Army as a laboratory
technician (until 1945).
1946 27 Physical Chemist with the United States
Public Health Service in Baltimore, MD,
and Chapel Hill, NC (untiil 1954).
1951 32 Member of Advisory Panel, Division 5 (later
Division 15), National Bureau of Standards
(until 1965).
1952 33 Ph.D. in Physical Chemistry, University of
North Carolina, under Oscar Rice.
1954 35 Assistant Professor, UC; abstractor and
Section Editor for Chemical Abstracts (until
1961).
1958 39 Associate Professor, UC.
1960 41 Grant from the American Cancer Society
for $34,907 for the study of "Tautomeric
Equilibria in the Conjugate Acids of
p-Dimethylaminoazobenzene".
1961 42 Professor, UC; Fulbright Scholar, Centre de
Mecanique-Ondulatoire Applique, Paris:
Graduate Fellow, UC; Eminent Chemist of
the Cincinnati Section, ACS; First Annual
Distinguished Research Award, UC
Chapter of Sigma Xi.
1962 43 Director of Graduate Studies, UC (until
1966).
1963 44 Alternate Councilor, one term, Regular
Councilor of Cincinnati Section of
American Chemical Society (until 1973);
Member, Council Standing Committee on
Publications.
1966 47 Head, Department of Chemistry, UC (until
1971).
1967 48 Vice President, UC Chapter of Sigma Xi
(until 1969); grant from NSF for $32,000
for the study of "Basicity in Ground and
Excited States".
1969 50 Bronze Medal, University of Helsinki;
President, UC Chapter of Sigma Xi (until
1971).
1970 51 Distinguished Visiting Scientist, New York
State University System; grant from NSF
for $32,000 for the study of All-Valence-
Electron Semiempirical Calculations of the
Electronic Spectra of Organic Molecules".
1971 52 Chercheur Associé, Centre National de la
Recherche Scientifique, Paris; Member, UC
Computer Task Force.
1974 55 Visiting Professor, Max Planck Institute für
Kohlenforschung, Mülheim/Ruhr; Member
and Chairman, UC Academic Computer
Services Committee.
1975 56 Member, NCR, Committee on
Recommendations for U.S. Army Basic
Scientific Research (until 1979).
1976 57 George A. Abbott Lecturer, University of
North Dakota; Member, UC Computer
Philosophy Task Force.
1978 59 Visiting Professor, Universität Bielefeld,
Bielefeld, Germany.
1981 62 Venable Lecturer, University of North
Carolina.
1982 63 Visiting Professor, Universitad Autonoma
de Mexico, Mexico City; George Rieveschl
Award, UC; Cincinnati Scientist of the Year.
1985 66 Visiting Professor, Universitad Automona
de Madrid; Visiting Professor, University
of Palermo; Associate, Instituto de Sanità,
Rome; Associate, Institut Curie, Paris;
Morley Award, Cleveland Section ACS.
1987 68 Visiting Professor, Universitad Antonoma
de Madrid.
1989 70 Professor Emeritus, UC.
... top of page ...
A Bibliography of the Publications
of Hans H. Jaffe
Books
1.
Theory und Applications of Ultraviolet Spectroscopy,
John Wiley and Sons, Inc., New York, 1962. With M. Orchin.
2. Symmetry in Chemistry,
John Wiley and Sons, Inc.,
New York, 1963. With M. Qrchin.
3.
The Importance of Antibonding Orbitals, Houghton
Mifflin Company, Boston, 1967. With M. Qrchin.
4. Symmetry, Orbitals and Spectra,
John Wiley and Sons, Inc., New York, 1971. With M. Orchin.
5. Answer Book for
"Symmetry, Orbitals and Spectra",
John Wiley and Sons, Inc., New York, 1971. With M. Orchin.
H. H. Jaffé and Milton Orchin
Articles
1. "Methods for Resolution of Enantiomorphs: III.
Chromatographic Adsorption", Journal of the American Chemical
Society, 65, 1486-88 (1943). With H. B. Hass and T. DeVries.
2. "Disproportionation of Aromatic Stiboso Compounds:
I. Mechanism", Journal of the American Chemical Society,
71, 602-6 (1949). With G. 0. Doak.
3. "The Disproportionation of Aromatic Stiboso
Compounds: II. Methods of Synthesis", Journal of the American
Chemical Society, 72, 3025-27 (1950). With G. 0. Doak.
4. "The Disproportionation of Aromatic Stiboso Com-
pounds: III. Effect of Structure", Journal of the American
Chemical Society, 72, 3027-29 (1950). With G. 0. Doak.
5. "The Ultraviolet Absorption Spectra of Arylphosphonic
and Diarylphosphinic Acids", Journal of the American
Chemical Society, 74, 1069-71 (1952). With L. D. Freedman.
6. "The Ultraviolet Absorption Spectra of Two
Arylalkylphosphinic Acids and Related Compounds", Journal ofthe
American Chemical Society, 74,2930-31(1952). With L. D.
Freedman.
7. "Correlation of Hammettss sigma-values with Electron
Densities Calculated by Molecular Orbital Theory", Journal
of Chemical Physics, 20, 279-84 (1952).
8. "Theoretical Considerations Concerning Hammett‘s
Equation: II. Calculation of sigma Values for Toluene and
Naphthalene, Journal of Chemical Physics, 20,778-80(1952).
9. "Theoretical Considerations Concerning Hammett‘s
Equation: III. sigma-values for Pyridine and Other
Aza-substituted Hydrocarbons", Journal ofChemical Physics, 20, 1554-
55 (1952).
10. "Free Electron Model Wave Functions as Approximations
to M0 Wave Functions for Conjugated Molecules",
Journal of Chemical Physics, 20, 1946 (1952).
11. "A Reexamination of the Hammett Equation", Chemical
Reviews, 53, 191-261(1953).
12. "The Acid Dissociation Constants of Aromatic
Phosphonic Acids: I. Meta and Para-Substituted Compounds",
Journal of the American Chemical Society, 75, 2209-11(1953).
With L. D. Freedman and G. 0. Doak.
13. "The Electronic Structure of Ferrocene", Journal of
Chemical Physics, 21, 156-57 (1953).
14. "On the Stability of Metallo-Organic Compounds",
Journal of Chemical Physics, 21, 196-200, 1118(1953). With
G. 0. Doak.
15. "Some Overlap Integrals Involving d-Orbitals",
Journal of Chemical Physics, 21, 258-63 (1953).
16. "Theoretical Considerations Concerning the Hammett
Equation: IV. Calculation of rho Values", Journal of Chemical
Physics, 21, 415-19 (1953).
17. "The Use of Free Electron Model Wave Functions in
the Derivation and Representation of LCAO (Molecular
Orbital) Wave Functions of Conjugated Molecules", Journal
of Chemical Physics, 21, 1287-92 (1953).
18. "Studies in Molecular Orbital Theory of Valence: II.
The Transition State in Walden Inversion Type Reactions"
Journal of Chemical Physics, 21, 1618 (1953).
19. "Does Carbon Utilize 3d Orbitals in Bonding?",
Journal of Chemical Physics, 21, 1893 (1953).
20. "Some Extensions of the Hammett Equation", Science,
118, 246-47 (1953).
21. "Determination of the Basicities of Very Weak Bases",
Journal of the American Chemical Society, 76, 1024-25(1954).
22. "The Acid Dissociation Constants of Aromatie
Phosphonic Acids: II. Compounds with Ortho Substituents",
Journal of the American Chemical Society, 76, 1548-52(1954).
With L. D. Freedman and G. 0. Doak.
23. "The Electrical Effect of the N-Oxide Group in
Pyridine 1-Oxide", Journal of the American Chemical Society, 76,
3527-31 (1954).
24. "Application of the Hammett Equation to Fused Ring
Systems", Journal of the American Chemical Society, 76,
4261-64 (1954).
25. "Theoretical Considerations Concerning the Hammett
Equation: VI. A Molecular Orbital Treatment of the
Multiplicity of Substituent Constants", Journal of the American
Chemical Society, 76, 5843-36 (1954).
26. "Conjugation of Several Phenyl Radicals Bonded to a
Single Central Atom", Journal of Chemical Physics, 22, 1430-33
(1954).
27. "On the Stability of Metallo-Organic Compounds: II.",
Journal of Chemical Physics, 22, 1462-63 (1954).
28. "On the Separation of Inductive and Mesomeric
Effects of Molecular Orbital Theory", Journal of the
American Chemical Society, 77, 274-80 (1955).
29. "The Electrical Effect of the Diethoxyphosphinyl
Group", Journal of the American Chemical Society, 77, 920-
21 (1955). With L. D. Freedman.
30. "The Basicities of Substituted Pyridines and their 1-
Oxides", Journal of the American Chemical Society, 77, 920-
21 (1955). With L. D. Freedman.
31. "Tautomeric Equilibria: 1. Substituted Pyridines and
their 1 -Oxides", Journal of the American Chemical Society,
77, 4445-48 (1955).
32."Tautomenc Equilibna: II. A Molecular Orbital
Discussion of the Relative Stabilities of Pairs of Tautomers
Involving Benzoid and Quinoid Structures", Journal of the
American Chemical Society, 77, 4448-51 (1955).
33. "The Ultraviolet Absorption Spectra or Substituted
Pyridine 1-Oxides and their Conjugate Acids", Journal of the
American Chemical Society, 77, 4451-53 (1955).
34. "Some Theorems Concerning the Mutual Polarizabilities
of Atoms and Bonds in Conjugated Molecules", Journal
of Chemical Physics, 23, 1-4 (1955).
35. "Valenzkräfte in drei-und viergliedrigen Ringen",
Zeitschrift fur Elektrochemie, 59, 823-27 (1955).
36. "The Energies of Electrons in Atoms: An Exercise for
Students in a Valenee Theory Course", Journal of Chemical
Education, 33, 25-27 (1956).
37. "Coding of Hammett Rho-Values on Punched Cards",
In progress report in Chemical Literature Retrieval, Advances
in Documentation and Library Science, 1, 113-19 (1957).
38. "Steric Inhibition of Hyperconjugation", Journal of the
American Chemical Society, 79, 391-93 (1957). With J. L.
Roberts.
39. "Inter- and Intramolecular Hydrogen Bonds", Journal
of the American Chemical Socicty, 79, 2373-75 (1957).
40. "Some Overlap Integrals Involving d-Qrbitals: II.",
Journal of Chemical Physics, 27, 883-86 (1957). With J. L.
Roberts.
41. "Multiple Bonding in Phosphorus Compounds",
Journal of Inorganic & Nuclear Chemistry, 4, 372-73 (1957).
42. "Tautomeric Equilibria: III. The Structure of the
Conjugate Acid of p-Dimethylaminoazobenzene", Journal of
Organic Chemistry, 22, 1281-82 (1957). With S. J. Yeh.
43. "Tautomeric Equilibria: IV. The Basicitics of
Monosubstituted Azobenzenes; an Acidity Scale in 20% Ethanolic
Aqueous Sulfuric Acid", Journal of the American Chemical
Society, 80, 319-23 (1958). With R. W. Gardner.
44. "A Combined Analysis of Variance and Regression
Treatment in the Evaluation of the Effects of Substituents on
Reactivity", Journal of Qrganic Chemistry, 23, 874-79 (1958).
45. "Dicyclopropyl- and Divinylmercury", Journal of
Organic Chemistry, 23, 1217-18 (1958). With G. F. Reynolds
and R. E. Dessy.
46. "The Basicities of Substituted Pyridine-1-Oxides; A
Reaction Series Requiring Use of
sigma+ and sigma-, Journal of
Organic Chemistry, 23, 1790-91 (1958).
47. "Resonance" in Encyclopedia of Chemistry, G. L. Clark,
ed. Rheinhold Publishing Company, New York, 1958, 2nd
ed., 1966, pp 253-54.
48. "The Electronic Spectra of Azobenzene Derivatives
and Their Conjugate Acids", Molecular Spectroscopy, 2, 120-
36 (1958). With S. J. Yeh and R. W. Gardner.
49. "Inductive Effects in Side Chain Reactions of
Substituted Benzene Derivatives", Journal ofthe American
Chemical Sociey, 81, 1635-38 (1959). With J. L. Roberts.
50. "The Difference Between the Hammett Equation as
Applied to Meta and Para-Substitutcd Compounds", Journal
ofthe American Chemical Society, 81, 3020-21 (1959).
51. "An Acidity Function for the Solvent System
Consisting of 20 Vol% Ethanol and 80% Sulfuric Acid-Water
Mixtures", Journal of the American Chemical Society, 81,
3274-78 (1959). With S. J. Yeh.
52. "Tautomeric Equilibria: V. The Basicities of Disubstituted
Azobenzenes", Journal of the American Chemical
Society, 81, 3279-83 (1959). With S. J. Yeh.
53. "Tautomeric Equilibria VI. The Structure of the
Conjugate Acid of p-Dimethylaminoazobenzene", Journal of the
American Chemical Society, 81, 3283-87 (1959). With S. J.
Yeh.
54. "Transmission of Electronic Effects Through the
N=NC6H4-Group", Journal of the American Chemical Society,
81, 3287-88 (1959). With S. J. Yeh.
55. "Nuclear Magnetic Resonance Spectra of Some Dialkylmercury Compounds",
Journal of Chemical Physics, 30,
1422-25 (1959). With R. E. Dessy, T. J. Flautt and G. F.
Reynolds.
56. "Valence-state Ionization Potentials of Carbon",
Journal of Chemical Physics, 30, 1622-23 (1959). With I. J.
Goldfarb.
57. "Perchlorates of Conjugate Acids of Azobenzene and
Substituted Azobenzenes", Journal of Organic Chemistry,
24, 717-19 (1959). With S. J. Yeh.
58. "The Correlation of TGA and DTA Temperatures in
Decomposition Reactions", Journal of the American Ceramic
Society, 43, 53 (1960). With K. Notz.
59. "Theoretical Considerations Relating Spectra to Steric
Factors in Hindered Stilbenes", Journal of the Chemical
Society, 1078-87 (February, 1960). With M. Orchin.
60. "Hybridization of Carbon Monoxide", Tetrahedron
Letters, 10, 212-14 (1960). With M. Orchin.
61. "Nuclear Quadrupole Resonance of BrCl", Journal of
Chemical Physics, 34, 2204 (1961). With M. A. Whitehead.
62. "Qrbital Energy Matching as a Factor in the Interpretation
of N.Q.R. Frequencies in Halides", Transactions of the
Faraday Society, 57, 1854-62(1961). With M. A. Whitehead.
63. "Electronic Theory of Organic Molecules" in
Comprehensive Biochemistry, Volume I, M. Florkin and E. H. Stotz,
eds. Elsevier Publishing Company, Amsterdam, 1962, pp. 34-
112.
64. "Electronegativity: I. Orbital Electronegativity of
Neutral Atoms", Journal of the American Chemical Society,
84, 540-46 (1962). With J. Hinze.
65. "The Wallach Rearrangement: I. The Behavior of
4-Substituted Azobenzenes in Strongly Acidic Solution",
Journal of the American Chemical Society, 84, 946-49 (1962).
With C. S. Hahn.
66. "The Basicities of Substituted Azoxybenzenes",
Journal of the American Chemical Sociey, 84, 949-53 (1962).
With C.S. Hahn.
67. "The Structure of the Conjugate Acids of Cis- and
Trans-Azobenzenes", Journal of the American Chemical
Society, 85, 4708-12 (1962). With J. H. Collins.
68. "Electronegativity: II. Bond and Orbital
Electronegativity", Journal of the American Chemical Society, 85,
148-54 (1963). With J. Hinze and M. A. Whitehead.
69. "Electronegativity: III. Orbital Electronegativities and
Electron Affinities of Transition Metals", Canadian Journal
of Chemistry, 41, 1315-28 (1963). With J. Hinze.
70. "Basicity of N-Nitrosamines: I. Non-polar Solvents",
Journal of the American Chemical Society, 85, 435-38 (1963).
With W. S. Layne and H. Zimmer.
71. "Interaction of Perpendicular pi-Electron Systems",
Journal of the American Chemical Society, 85, 1561-64 (1963).
With 0. Chalvet.
72. "Basicity of N-Nitrosamines: II. Aqueous Sulfuric Acid
Solutions", Journal of die American Chemical Society, 85,
18 16-20 (1963). Witih W. S. Layne and H. Zimmer.
73. "A Classical Electrostatic View of Chemical Forces",
Journal of Chemical Education, 40, 649-51 (1963).
74. "Slater-Condon Parameters from Spectral Data",
Journal of Chemical Physics, 38, 1834-47 (1963). With J. Hinze.
75. "Pyrolysis of Uranium Compounds: I. Uranyl Sulphate",
Journal of Inorganic & Nuclear Chemistry, 25, 851-57 (1963).
With K. J. Notz.
76. "Electronegativity: IV. Orbital Electronegativities of
the Neutral Atoms of the Periods Three A and Four A and of
Positive Ions of Periods One and Two", Journal of Physical
Chemistry, 67, 1501-6 (1963). With J. Hinze.
77. "Theoretical Considerations Concerning the Hammett
Equation: VIII. An Electrostatic Treatment of Reaction
Constants", Tetrahedron Leiters, 19 (Supplement 2), 455-66
(1963). With J. L. Roberts.
78. "Orbital Electronegativities and the Determination of a
s- and d-Hybridization in Various Halides from Nuclear
Quadrupole Resonance Frequencies", Theoretica Chimica
Acta, 1, 209-21 (1963). With M. A. Whitehead.
79. "Spectre electronique de l'oxyde de pyridine", Comptes
Rendus, 257, 677-78 (1963). With R. Saison.
80. "Applications of the Hammett Equation to Heterocyclic
Compounds", Advances Heterocyclic Chem., 3, 209-61
(1964). With H. L. Jones.
81. "Tautomeric Equilibria: VII. Substituent Effects in
Dimethylaminoazobenzenes", Journal of the American Chemical
Society, 86, 2209-13 (1964). With M. Isaks.
82. "Cis-azoxybenzenes: I. Synthesis and Structure",
Journal of the American Chemical Society, 86, 2419-21 (1964).
With D. L. Webb.
83. "Excited State pK's: I. Azobenzene and
Azoxybenzene", Journal of the American Chemical Society,
86, 2932-34 (1964). With D. L. Beveridge and H. L. Joncs.
84. "Excited State pK's: II. DeltaNu-sigma Relations", Journal of
the American Chemical Society, 86, 2934-35 (1964). With H.
L. Jones and M. Isaks.
85. "Cis-Azoxybenzenes: II. Photoequilibrium Studies of
Azoxybenzenes", Tetrahedron Letters, 28, 1875 (1964). With
D. L. Webb.
86. "Electronic Structure and Spectra of Cis- and Trans-
Stilbene", Journal of the American Chemical Society, 87,
5340-46 (1965). With D. L. Beveridge.
87. "Excited State pK Values: III. The Application of the
Hammett Equation", Journal of Organic Chemistry, 30, 964-
69 (1965). With H. L. Joncs.
88. "The Electronic Structure and Spectra of Cis- and
Trans-Azobenzene", Journal of the American Chemical
Society, 88, 1948-53 (1966). With D. L. Beveridge.
89. "Excited State pK's: IV. Tautomeric Equilibria",
Journal of the American Chemical Society, 88, 5342-43 (1966).
With R. H. Ellerhorst and A. L. Miller.
90. "Tautomenc Equilibria: VIII. A Direct Spectroscopic
Method", Tetrahedron Leiters, 14, 1489-91 (1966). Also
published in Organic Reactivity, 177-79.
91."The Fates of Electronic Excitation Energy", Journal
of Chemical Education, 43, 469-73 (1966). With A. L. Miller.
92. "The Wallach Rearrangement: II. Kinetics of the
Rearrangement of Azoxybenzene and Its Derivatives in Strongly
Acidic Solution", Journal of the American Chemical Society,
89, 4975-81 (1967). With C. S. Hahn and K. W. Lee.
93. "Understanding Ultraviolet Spectra of Organic
Molecules", Journal of Chemical Education, 44, 383-86
(1967). With D. L. Beveridge and M. Orchin.
94. "A Molecular Orbital Description of the Non-classical
Ion in 1‚2-Rearrangements", Journal of Chemical Education,
44, 626-35 (1967). With N. Phelan and M. Orchin.
95. "Interaction of Perpendicular pi-Electron Systems: II.
Aminobiphenyls", Spectrochimica Acta, 23A, 1923-25 (1967).
With E. G. Spletzer.
96. "Reviewer's Role is Important and Demanding", Chemical
and Engineering News, 40-41 (1968). With J. Van Wazer.
97."Use of the CNDO Method in Spectroscopy: I. Benzene,
Pyridine, and the Diazines", Journal of Chemical Physics,
48, 1807-13 (1968). With J. Del Bene.
98."Use of the CNDO Method in Spectroscopy: II. Five-
membered Rings", Journal of Chemical Physics, 48, 4050-55
(1968). With J. Del Bene.
99. "Use of the CNDO Method in Spectroscopy: III. Mono-
substituted Benzenes and Pyridines", Journal of Chemical
Physics, 49, 1221-29 (1968). With J. Del Bene.
100. "Basicities of the Monoxides and Dioxides of p-
Dimethylaminoazobenzene", Journal of Organic Chemistry,
33, 4115-22 (1968). With R. H. Ellerhorst.
101. "All-Valence-Electron Semiempirical Self-Consistent
Field Calculations", Accounts of Chemical Research, 2,
139 (1969).
102. "Comments on 'Lowest Ionization Potentials of
Some Nitrogen Heterocyclics'", Journal of Chemical Physics,
50, 563-64 (1969). With J. Del Bene.
103. "Use of CNDO Method in Spectroscopy: IV. Small
Molecules: Spectra and Ground-state Properties", Journal of
Chemical Physics, 50, 1126-29 (1969). With J. Del Bene.
104. "A Pure Intramolecular Charge-transfer Transition:
Substituted N-Alkyl-N-nitrosoanilines", Journal ofthe American
Chemical Society, 91, 3383 (1969). With J. T. D'Agostino.
105. "The Relation Between the Average Lifetime of a
Decaying Species and the Rate Constant for the Decay
Process", Journal of Chemical Educauion, 47, 14 (1970).
With J. T. D'Agostino.
106. "Symmetry, Point Groups and Character Tables: I.
Symmetry Operations and Their Significance", Journal of
Chemical Education, 47, 246-52 (1970). With M. Orchin.
107. "Symmetry, Point Groups and Character Tables: II.
Classification of Molecules into Point Groups", Journal of
Chemical Education, 47, 372-77 (1970). With M. Orchin.
108. "Rearrangements of Molecular Ions of Dialkyl-N-
nitrosamines", Journal of the American Chemical Society, 92,
6964 (1970). With S. Billets and F. Kaplan.
109. "Electrical Effect of Free-Radical Groups", Journal
of the American Chemical Society, 92, 6965 (1970). With S.
Billets.
110. "All-Valence Electron Calculations of the Electronic
Spectra of Heterocyclic Molecules" in Quantum Aspects of
Heterocyclic Compounds in Chemistry and Biochemistry;
The Jerusalem Symposium on Quantum Chemistry and
Biochemistry, II, The Israel Academy of Sciences and Humanities,
Jerusalem, 1970, pp. 34-39.
111. "Assignment of Electronic Transitions in the N-
Alkyl-N-nitrosoanilines", Journal ofthe American Chemical
Society, 92, 5760-66 (1970).
112. "Excited State Vibrational Calculations with Orthog-
onality Constraint", Journal of Chemical Physics, 53, 534-39
(1970). With T. M. Bustard.
113. "Symmetry, Point Groups and CharacterTables: III.
Character Tables and Their Significance", Journal of Chemical
Education; 47, 510-16 (1970). With M. Orchin.
114. "The Symmetries and Multiplicities of Electronic
States in Polyatomic Molecules", Journal of Chemical
Education, 48, 92-97 (1971). With R. L. Ellis.
115. "Structural Studies of N-Alkyl-N-nitrosoanilines by
Nuclear Magnetic Resonance", Journal of Organic Chemistry,
36, 992-95 (1971). With J. D'Agostino.
116. "Use of the CNDO Method in Spectroscopy. V.
Spin-Orbit Coupling", Journal of Chemical Physics, 55, 3499-
3505 (1971). With R. L. Ellis and R. Squire.
117. "On the Structure of Protonated Ethylene", Journal
of the American Chemical Society, 94, 674 (1972). With S.
Billets.
118. "Use of the CNDO Method in Spectroscopy. VI.
Further n - pi* Transitions", Theoretica Chimica Acta (1972).
With R. L. Ellis and G. Kuehnlenz.
119. "Use of the CNDO Method in Spectroscopy. VII.
Changes in Dipole Moment Upon Excitation", Journal of
Molecular Structure, 15, 445-52 (1973). With G. W.
Kuehnlenz and C. Masmanidis.
120. "Use of the CNDO Method in Spectroscopy. VIII.
Molecules Containing Boron, Fluorine and Chlorine",
Journal of Chemical Physics, 58, 2238-43 (1973). With G.
Kuehnlenz.
121. "Gas Phase Studies of N-Nitrosamines by Ion Cyclotron
Resonance Spectroscopy", Journal of Organic Mass
Spectroscopy, 7, 431-40 (1973). With S. Billets.
122. "Use of the CNDO Method in Spectroscopy. IX.
Doublet States", Chemical Physics Letters, 23, 14648 (1973).
With H. M. Chang.
123. "Photochemical and Thermochemical Isomerization
of Cis- and Trans-Azoxybenzene", Journal of the American
Chemical Society, 95, 5518-21 (1973). With S. B. Rhee.
124. "A Photochemical Reaction with a Preequilibrium
Step. The Acid-catalyzed Photochemical Wallach
Rearrangement", Journal of the American Chemical Society, 95,
8 188-89 (1973). With R. S. Squire.
125. "Calculation of Triplet Energies in Azonaphthalenes",
Chemical Physics Letters, 24, 416-17 (1974). With C. A.
Masmanidis.
126. "A Modification of the Herzberg-Teller Expansion
for Vibronic Coupling", Journal of Chemical Physics, 60,
1193-96 (1974). With M. Roche.
127. "Calculated Singlet-Triplet Transitions in Pyridine",
Journal of Chemical Physics, 60, 1696 (1974). With C. A.
Masmanidis, H. M. Chang and R. L. Ellis.
128. "The Use of the CNDO Method in Spectroscopy. X.
The Calculation of the Self-Consistent Doublet and Triplet
States", Journal of Computational Physics, 14, 180-92(1974).
With H. M. Chang and C. A. Masmanidis.
129. "The Use of the CNDO Method in Spectroscopy. XI.
Photoelectron Spectra", Journal of the American Chemical
Society, 96, 2623 (1974). With R. L. Ellis and C. A. Masma-
nidis.
130. "The Use of the CNDO Method in Spectroscopy.
Naphthalene and the Breakdown of the Pairing Theorems",
Journal of Molecular Spectroscopy, 50, 474 (1974). With R.
L. Ellis.
131. "A Treatment of Symmetry in MO Calculations",
Journal of Computauional Physics, 16, 20-31 (1974). With R.
L. Ellis.
132. "Use of the CNDO Method in Spectroscopy. XIII.
The Direct Calculation of Self-Consistent Triplet Excited
States of Organic Molecules", Journal of Physical Chemistry,
79, 1109 (1975). With H. M. Chang and C. A. Masmanidis.
133. "Use of the CNDO Method in Spectroscopy. XIV.
Electronic Spectra of Free Radicals and Free Radical Ions",
Journal of Physical Chemistry, 79, 1118 (1975). With H. M.
Chang and C. A. Masmanidis.
134. "Spin-Orbit Coupling in Organic Molecules",
Journal of Physical Chemistry, 79, 2052 (1975). With C. A.
Masmanidis and R. L. Ellis.
135. "On the Electronic Structure of Phenyl Cation and
CNDO/S Treatment", Journal of Organic Chemistry, 40,
3082 (1975). With F. Koser.
136. "pK's of the Naphthoic Acids in the First Excited
Singlet States", Journal of Physical Chemistry, 79, 2543
(1975). With 0. Chalvet and E. De La Serna.
137. "Orbital Energies in Open Shell Systems", Journal
of Physical Chemistry, 80, 1928 (1976). With J. Singerman.
138. "Vibrational Intensities in Electronic Transitions",
Chemical Society Reviews, 5, 165 (1976). With M. Roche.
139. QCPE Newsletter, 53, 5 (1976). With L. Bouscasse.
140. "Electronic Excited States of Organic Molecules", in
Electronic Structure Calculations, PartB, Applications, G. A.
Segal, Ed., Vol. 8 of Modern Theoretical Chemistry, Plenum
Press, New York (1977), pp. 49-127.
141. "Acid-base Equilibria of Electronically Excited
Phenazine", Photochemistry and Photobiology, 26, 353 (1977).
With 0. Chalvet and J. C. Rayez.
142. "Single Spin-Configuration Singlet States", Journal
of Chemical Physics, 67 (1977). With L. Bouscasse, N.
Kondo and J. Singerman.
143. "The Calculation of Ground and Excited State
Molecular Polarizabilities: A Simple Perturbation Treatment",
Theoretica Chimica Acta, 45, 241 (1977). With F. T. Marchese.
144. "Orbital Energies in Open Shell Systems", Journal
of Chemical Physics, 69, 1 (1978). with C. Jung, J. Sauer and
J. Singerman.
145. "Triplet Carbonyl-Olefin Charge-Transfer
Complexes. A CNDO Treatment", Journal ofthe American Chemical
Society, 100, 301 (1978). With R. Outcalt and R. M.
Wilson.
146. "A Treatment of Open Shells", Journal of Chemical
Physics, 71, 12 (1979). With L. l3ouscasse.
147. "The Use of CNDO in Spectroscopy. XV. Two Photon
Absorption", Journal of Chemical Physics, 72, 7 (1980).
With F. T. Marchese and C. J. Seliskar.
148. "The Use of CNDO in Spectroscopy. XVI. Multiple
Photon ICR Photodissociation Spectra", Journal of Chemical
Physics, 72, 7 (1980). With F. T. Marchese and C. J. Seliskar.
149. "A Reexamination of the Oxygen Parameters in the
CNDO/S Method. Application to UV and Photoelectron
Spectra of p-Benzoquinone", Journal of Physical Chemistry,
85, 473 (1981). With P. Jacques, J. Faure and 0. Chalvet.
150. "VCNDO/S Method for Second Row Atoms", Journal
of the American Chemical Society 103, 1358 (1981). With
J. A. Singerman.
151. "Direct Energy Minimization of Excited Singlet
States",Journal of Chemical Physics, 75, 5759 (1981). With
L. Bouscasse, D. Bou-Roubaud, and T. Avignon.
152. "The Calculation of Ground and Excited Doublet
State Molecular Polarizabilities by the CNDO/S Method",
Journal of Molecular Structure, 86, 97 (1981). With F. T.
Marchese.
153. "Model Compound Studies on the Electronic Structure
of PMMA", Journal of Chemical Physics, 75, 150 (1981).
With R. W. Bigelow.
154. "Interchain Interactions in Some Benzobisoxazole
and Benzobisthiazole Rigid-Rod Polymers", Macromolecules,
14, 951 (1981). With D. Bhaumik, W. J. Welsh and J. E.
Mark.
155. "Polarizabilities of Some Benzobisoxazole and
Benzobisthiazole Rigid-Rod Polymers", Macromolecules, 14, 1125
(1981). With D. Bhaumik and J. E. Mark.
156. "Calculated Polarizabilities for Some Aliphatic and
Aromatic Hydrocarbons", Journal of Molecular Structure,
87, 82 (1982). With D. Bhaumik and J. E. Mark.
157. "The Electronic Structures of Some Aromatic
Sulfinylamines", Journal of Electronic Spectroscopy and
Related Phenomena, 26, 235 (1982). With J. N. Louwen, H.
Van Dam, D. J. Stufkens and A. Oskamp.
158. "The Flexibility of Biphenyl and Related Species
Utilizable as Molecular Swivels in Rodlike Polymers. A
CNDO/2 Analysis", Macromolecular Chemistry, 183, 801
(1982). With W. J. Welsh, N. Kondo and J. E. Mark.
159. "Geometry Optimization Using Symmetry
Coordinates", Journal of Computational Chemistry, 5, 84
(1983). With H. Kondo, H. Y. Lee and W. J. Welsh.
160. "Theoretical Investigations on Some Rigid-Rod Polymers
Used as High-Performance Materials", Polymer and
Engineering Science, 24, 218 (1984). With W. J. Welsh, D.
Bhaumik and J. E. Mark.
161. "Projection Operators in Continuous Groups",Journal
of Chemical Education, 61, 503 (1984). With S. J. David.
162. "Geometry Optimizations of Excited States", Journal
of Molecular Structure (Theochem), 123, 301 (1985).
163. "A Treatment of Symmetry in MO Calculations. II.
Numeric Applications of Projection Operators", Journal of
Computational Chemistry, 9, 604 (1988).
164. "Potential Energy Surfaces", Journal of Chemical
Education, in press. With C. E. Moore and A. Banks.
165. "Exciplexes in the Carbonyl-Olefin System. A CNDO
Study", submitted to Journal of Physical Organic Chemistry.
With C. E. Moore and R. M. Wilson.
... top of page ...
M.S. Theses Supervised by Hans Jaffé
- Robert W. Gardner, Determination of the Ionization Constants
of Monosubstituted Azobenzenes, June, 1957.
- William B. Hugle, A Study of Photocapacitance in Cadmium
Selenide, June, 1959.
- Karl J. Notz, Jr., Thermal Decomposition of Uranyl
Sulfate, June, 1960.
- Frances S. Hugl, Cathode Deplating of Rhodium, August,
1960.
- Ethel D. Barber, Basicity of Tertiary Compounds in Group
V and Their Oxides, June, 1961.
- Kai-Li Hsia, The Polarographic Behavior of the Cis and
Trans Azo- and Azoxybenzene, August, 1961.
- Bemard A. Free, Theoretical Study of Metal-Acetylene
Bond Energies, June, 1965.
- Eldon G. Spletzer, Resonance Interaction Between
Perpendicular pi-Electron Systems, June, 1966.
- Fereydoun F. Nazem, Spectroscopic Studies on
Dimethylaminoazobenzenes and Trimethylammonioazobenzenes,
August, 1967.
- Barbara J. Quattrone, The Basicities of 2- and 4-Phenyl
azopyridine, August, 1969.
- Donn M. Storch, Mathematical Basis of Spectral
Calculations with CNDO/S, June, 1974.
... top of page ...
Ph.D. Theses Supervised by Hans Jaffé
- Ivan J. Goldfarb, Valence State Energies of Carbon and
Iron and the Carbon-fron Bond Energy, June, 1959.
- Si-Jung Yeh, The Basicities of Substituted Azobenzenes,
June, 1959.
- Joseph T. Zung, Theoretical Studies of Metal-Carbon Bond
Energies, August, 1960.
- Chi-Sun Hahn, The Basicities of Substituted Azoxybenzenes
and the Behavior of Azoxybenzenes in Strongly Acidic
Solution - The Wallach Rearrangement, June, 1961.
- William S. Layne, Basicity of N-Nitrosamines, August,
1961.
- Jürgen A. Hinze, Electronegativity, August, 1962.
- Sister Mary C. Mueller, Dissociation Energies of Metallo-
Organic Compounds, August, 1962.
- Jerome H. Collins, The Electronic and Structural Nature
of Cis and Trans Conflgurations ofAzobenzene and the
Basicities of the Mono Oxides of p-Dimethylaminoazobenzene,
June, 1963.
- Martin Jsaks, Tautomeric Equilibria in
Dimethylaminoazobenzenes, August, 1963.
- Joseph L. Roberts, A Theoretical Treatment of the
Hammet Constant - Rho, June, 1964.
- David L. Beveridge, A Quantwn Theoretical Study of the
Electronic Spectra of Stilbene and Azobenzene, June, 1965.
- Harold L. Jones, Application of the Hammett Equation to
Excited State Equilibrium Constants and an Attempted
Circular Dichroism Study of Azobenzene, June, 1965.
- David L. Webb, Cis Azoxybenzenes, June, 1965.
- Albert L. Miler, Tautomeric Equilibrium of the First
Conjugate Acids of Dimethylaminobenzenes, August, 1966.
- Robert H. Ellerhorst, The Basicities of the Mono and
Dioxides of Dimethylaminobenzene and Excited Singlet State
Equilibrium Constants of the Mono and Dioxides of Dimethylaminobenzene,
June, 1967.
- Alan M. May, The Use of Ellipsoidal Gaussion Calculations
of Molecular Properties, June, 1968.
- Janet Del Bene, A Modified CNDO Approach to the Quantum
Mechanical Study of Molecular Electronic Spectra and
Structure, August, 1968.
- Thomas M. Bustard, Excited State Variational
Calculations with Applications to Ultraviolet Spectroscopy, June,
1969.
- Joan T. D'Agostino, A Spectroscopic Study of N-Nitrosoanilines,
August, 1969.
- Mohammed M. Qasim, Cis-Trans Photoisomerization of
2-(p-Dimethylaminobenzylidene)-4-butyrolactone, August,
1969.
- Nelson F. Phelan, The Nature of the Ligand-Metal Bond-
ing in Platinum(II) Complexes Where One or More of the
Ligands Has a Pi-System, June, 1970.
- Stephen Billets, I. Gas Phase Studies of N-Nitrosamines
by Ion Cyclotron Resonance. II. The Wallach Rearrangement
of 4-Phenyl and 4-Phenoxyazoxybenzene, August, 1971.
- Suh Bong Rhee, The Photoisomerization of Azoxybenzene
,June, 1971.
- Richard L. Ellis, The Use of the CNDO/S Method in
Spectroscopy, June, 1972.
- Howard Gard, A System: An Ion Kinetic Energy
Spectrometer, Computerized Data Acquisition and Computerized
Data Reduction, June, 1972.
- Gary Kuehnlenz, The Application of a Variable CNDO
Method to the Quantum Theory of Molecular Electronic Structure
, June, 1972.
- Richard H. Squire, The Photo-Wallach Rearrangement: A
Compendium of Experimental and Theoretical Results, Au-
gust, 1973.
- Huo-Ming Chang, A Study of Open-S hell Systems by the
CNDO/S Method, August, 1973.
- Adnan Abu Saleh, The Luminescence of Cis and Trans
2-(p-Dimethylaminobenzylidene)-4-butyrolactone, August,
1975.
- Constantin A. Masmanidis, CNDO/S Calculations of
PhotophysicalProperties of Organic Molecules, August, 1975.
- Naohiro Kondo, Automated Geometry Optimization for
Ground States of Molecules, December, 1978.
- Francis T. Marchese, CNDO/S Studies of Molecular Po-
larizabiliuies and Two-Photon Absorptivities, June, 1979.
- Hoo Young Lee, Geometry Optimization for Open-Shell
Systems: Triplet Excited States of Molecules and Doublet
Ground and Excited States of Radicals, December, 1982.
- Craig Moore, Excited State Potential Energy Surfaces of
Ethylene-Formaldehyde Complexes: A CNDO/S Treatment,
June, 1986.
... top of page ...
From the Editor's Desk
by Bill Jensen, 1989
Hans H. Jaffé retired at the end of the 1988-1989 academic
year after 35 years of service to die Department of Chemistry,
six of them spent as Department Head. His impact on the
Department during this time has been enormous. The current
chemistry building was completed during his tenure as
Department Head and eight, or more than 25%, of the current
faculty were hired by him.
Intellectually, his five books on spectroscopy and symmetry,
written in collaboration with Dr. Orchin, have had a
profound influence on the Department's graduate curriculum
and have played a significant role in establishing both a
national and international reputation for the Department. In a
similar vein, his extensive compilations of parameters for the
Hammett equation and calculations of orbital electronegativity
values have made his name a commonplace in textbooks of
physical organic chemistry and inorganic chemistry.
Dr. Jaffé's retirement was celebrated by faculty, staff and
former students at a reception and dinner held at the UC
Faculty Club on 24 June 1989, and the following tributes were
originally intended as a memento to be distributed at that time.
However, in order to make them available to former students
who were unable to attend the dinner and to departmental
alumni and friends in general, it was felt that they should also
be published as a special issue of The Chemical Bond.
... top of page ...
Last updated : May 12, 2002 - 09:46 CET