Hermann Hartmann (chemist)

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Hermann Hartmann 1950

Hermann Hartmann (born May 4, 1914 in Bischofsheim in the Rhön , † October 22, 1984 in Glashütten im Taunus ) was a German chemist.

H. Hartmann was professor of physical chemistry at the Johann Wolfgang Goethe University in Frankfurt am Main and a pioneer of theoretical chemistry in the second half of the 20th century. His contributions to the ligand field theory (1945-1950) and other quantum chemical model considerations such as the Hartmann potential (1971-1980) and its perturbation theory of molecular interactions (1970-1977) led him to the development of approaches toward a unified field theory of chemical bonding on the basis of non-linear field equations (1977–1984).

Life

Hartmann began his academic training in Munich in 1933. The decisive factor for studying chemistry was a lecture on complex chemistry . He was particularly impressed by Arnold Sommerfeld , who inspired him to deal with quantum mechanics, which was still new at the time . His first scientific work, funded by Sommerfeld, in 1940 became typical of his further scientific approach, the finding of potentials that have model character for a certain area of ​​phenomena (model potentials). In early 1939, he moved from Munich to Frankfurt where he working with Peter Wulff 1941 to research on the abnormal mobility of the hydrogen doctorate . The Hückel model , a semi-empirical process published by Erich Hückel in the 1930s for the quantum mechanical treatment of aromatic compounds such as benzene , was the subject with which Hartmann completed his habilitation in 1943. Because of his refusal to take part in National Socialist training programs, however, he was not given a teaching permit. The basic theoretical questions associated with the Hückel model occupied him all his life and led to one of his most important discoveries, the Hartmann potential.

Despite the turmoil at the end of World War II, he founded the ligand field theory for complex compounds together with FE Ilse, his first student . The ligand field theory with the associated symmetry approach established Hartmann's international reputation. He also coined the term ligand field theory.

After working for a year at what was then the Max Planck Institute for Physics in Göttingen, Hartmann became director of the newly established Institute for Physical Chemistry in Frankfurt in 1952. Thanks to Hartmann, the institute developed into a center of research and teaching of international standing. In the early days of the institute he was particularly influenced by Friedrich Hund , who was Professor of Theoretical Physics in Frankfurt from 1952 to 1956 and with whom he has remained on friendly terms ever since. At that time, Hund wrote his book Materie als Feld and Hartmann wrote his main work Theory of Chemical Bonding on a Quantum Theory Basis . Hartmann's research work at his institute ranges from specific experimental topics to fundamental scientific questions.

At the beginning of the 1960s, a total of around 100 scientists worked at the Hartmann Institute, including 20 theorists. With the help of the group of theorists, Hartmann organized regular international summer courses for theoretical chemistry from 1962 , most of which were held in Constance on Lake Constance.

In 1962 he founded the peer-reviewed journal Theoretica Chimica Acta (TCA), of which he was editor until his death. There he also published most of his essays. In 1984 Hartmann handed over the publication of the journal K. Ruedenberg from Iowa State University. In 1997 the name of the journal was renamed Theoretical Chemistry Accounts : Theory, Computation, and Modeling with Donald G. Truhlar , University of Minnesota, as editor.

To promote theoretical chemistry in German-speaking countries, Hartmann founded the symposium for theoretical chemistry in 1965 . In the first few years, the organizing committee consisted of Hartmann, Heinrich Labhart (Zurich), Oskar Polansky (Vienna) and later Werner A. Bingel (Göttingen), Ernst Ruch (Berlin), Georges H. Wagnière (Zurich), and Peter Schuster (Vienna) ). This symposium has since become a permanent institution and has developed into an important specialist conference for theoretical chemistry.

For Hartmann, the direct contact with the students and the promotion of young scientists were particularly important. Hartmann did not accept a call to the Technical University of Munich in 1964 and to the Max Planck Institute in Mainz in 1966, because he saw the promotion of theoretical chemistry primarily as a teaching task. In 1966 the Hessian state government granted him funds for an institute for theoretical chemistry . However, he had to limit his experimental investigations to one research area due to the university administration reform of 1968.

From 1962 to 1972, the following important researchers worked at Hermann Hartmann's institute: Hans Ludwig Schläfer , Horst Heydtmann , Joachim Heidberg , Hartwig Kelm , Hans Sillescu and Hans Wolfgang Spiess as experimenters, as well as Karl Heinz Hansen , Günter Gliemann , Hans-Herbert Schmidtke (* 1929), TK Ha, Karl Jug , Ernst Otto Steinborn , Klaus Helfrich , WH Eugen Schwarz , Ernst-Albrecht Reinsch , Karl Hensen and Gundolf Kohlmaier as theorists. They all became professors. If you use the Hirsch index , Hans Sillescu, Hans Wolfgang Spiess, Hans Ludwig Schläfer, Joachim Heidberg as well as Karl Jug, WHE Schwarz and Ernst Otto Steinborn are the most successful students of H. Hartmann.

In the 1970s the theoretical research of H. Hartmann reached a new high point with the discovery of the uniform field of molecular behavior with the help of a non-linear Schrödinger equation. During this time, he integrated three research groups working under his leadership:

  • at the Institute for Physical Chemistry, Karl-Peter Wanczek (later professor at the University of Bremen), S.-H. Lee and G. Baykut discuss the application of ion cyclotron resonance spectroscopy. Due to the technical realization of double well potentials, this method of mass spectrometry enables the precise investigation of ion-molecule and ion-ion interactions,
  • Physicists working at the Hartmann Institute for Theoretical Chemistry, Kyu-Myung Chung , students of Bernhard Mrowka (Frankfurt), MW Morsy, students of Hans Bethe (Pasadena) and Dieter Schuch (later professor at the University of Frankfurt am Main) worked on quantum mechanical and semi-classical understanding of molecular interactions,
  • At the work center for theoretical chemistry , which Hartmann was able to set up in 1972 with the support of the Mainz Academy of Sciences and Literature at his place of residence in Glashütten / Taunus, he developed approaches to a uniform field theory of molecular behavior. The group of theorists at the workplace consisted of Kyu-Myung Chung and D. Schuch as well as W. Ulmer and B. Zeiger (the latter later did research in the field of biophysics).

In accordance with the objectives of the Academy of Sciences and Literature, Mainz, of which H. Hartmann was a corresponding member until his death in 1984, the focus of his work since 1972 has increasingly been on the field of long-term basic research in areas of theoretical chemistry outside the mainstream of trend-setting importance.

Act

As a pioneer of theoretical chemistry, H. Hartmann endeavored, much like Albert Einstein for physics, to understand the entire area of ​​the behavior of matter through a uniform field of chemical bonding. The work of H. Hartmann as an important teacher and versatile researcher, who constantly integrated theory and experiment with one another, cannot be separated from the classical, humanistic Humboldtian educational ideal to which he felt obliged throughout his life.

The quality of his teaching is confirmed by the fact that by the end of the 1970s 30 of his students were university professors themselves. Hartmann taught in Frankfurt until his retirement in 1982. Hartmann was critical of the research trend of his time to approach scientific questions predominantly numerically with the help of computers and therefore increasingly turned to the unifying basic questions of chemical kinetics .

Probably his most important scientific achievement, according to the ligand field theory (1945–1950), is the discovery of the unified field of the chemical bond on the basis of a non-linear Schrödinger equation (1980). The main steps to this discovery were

In the discovery of the classical field of molecular behavior, the classical perturbation theory published by Hartmann in 1971 for the analysis of molecular interactions played an important role, as did the ring-shaped potential published in 1972, which is known as the Hartmann potential and which, because of its superintegratability and supersymmetry , played a pioneering role in the 1980s for theoretical chemistry. The perturbation theory developed by Hartmann formed an important bridge between quantum mechanical and classical behavior. The unified description of the behavior of molecular matter z. B. through a non-linear Schrödinger equation and the classical field of chemical bonding defined thereby was the culmination of his life's work.

Hartmann drew as author or co-author of 250 scientific papers. His publications document the three cornerstones of his thinking - symmetry consideration , model potentials and perturbation theory - and thus the steps in knowledge that led to the self-interacting field of molecular behavior. This is shown in his experimental work in a shift in focus from spectroscopy to kinetic methods.

To honor and promote his scientific achievements, he received membership of the German Academy of Natural Scientists Leopoldina , the Society of Austrian Chemists , the Accademia Nazionale die Lincei , the Royal Danish Academy of Sciences and Letters , the Comitato Premio of Fondazione Balzan , the International Academy of Quantum Molecular Science and the Academy of Sciences and Literature in Mainz . H. Hartmann was also a member of a UNESCO commission in Paris that dealt with the relationship between theoretical chemistry and experiment, technology and teaching.

Publications

Books and writings:

  • Chemical bond theory based on quantum theory . Springer, Berlin 1954.
  • The chemical bond. Three lectures for chemists . Springer, Berlin 1955–1957.
  • A mechanical model for the analysis and representation of typical quantum theoretical phenomena . Bavarian Academy of Sciences, Munich 1957.
  • The importance of quantum theoretical models for chemistry . Steiner, Wiesbaden 1965.
  • The importance of prejudice for the progress of scientific knowledge . Steiner, Wiesbaden 1967.
  • New wave mechanical eigenvalue problems . Steiner, Wiesbaden 1972.

The following selected works of the research groups of H. Hartmann document his characteristic approach in the investigation of typical chemical behavior patterns, which finally led to the discovery of a self-interacting classical field of chemical bonding. The work that relates to this last phase of his work was combined into a separate group with the title “Arbeitsstelle für Theoretische Chemie, Glashütten (1972–1984)”.

  • A. Sommerfeld, H. Hartmann: Artificial boundary conditions in wave mechanics. The limited rotator. Annalen der Physik 37, 333-343 (1940)
  • Hermann Hartmann: A simple approximation method for quantum-mechanical treatment of the π-electron systems of aromatic hydrocarbons I & II. In: Zeitschrift für Naturforschung A . 2, 1947, pp. 259–263 ( PDF , free full text).
  • Hermann Hartmann: On the theory of addition and rearrangement reactions of aromatic systems. In: Journal of Nature Research A . 3, 1948, pp. 29–34 ( PDF , free full text).
  • Hermann Hartmann, Hans Ludwig Schläfer : About the absorption spectra of electrostatic complex ions of trivalent transition elements with octahedral symmetry. In: Journal of Nature Research A . 6, 1951, pp. 760–763 ( PDF , free full text).

H. Hartmann's first doctoral student with whom he founded the ligand field theory:

  • FE Ilse: Quantum mechanical calculations on the absorption spectra of polar inorganic complexes. University of Frankfurt (1946) Dissertation

Institute for Physical Chemistry, Frankfurt (1952–1982)

  • H. Hartmann: About a mechanical model for the analysis and representation of typical quantum theoretical phenomena. Verl. D. Bayer. Academy d. Sciences (1957) Reprint from the meeting reports of the Bavarian Academy of Sciences, Mathematical and Natural Science Class (1957)
  • H. Hartmann, HL Schläfer: On the question of the binding relationships in complex compounds. Angewandte Chemie 70, 155 (1958)
  • Hermann Hartmann: On the theory of π-electron systems. In: Journal of Nature Research A . 15, 1960, pp. 993-1003 ( PDF , free full text).
  • H. Hartmann, E. König: Matrix elements of the ligand field potential in complex compounds of transition metals. Journal of Physical Chemistry (new episode) 28, 425 (1961)
  • H. Hartmann: New concepts in the theory of π-electron spectra. Pure and Applied Chemistry 4 (1) 15-22 (1962), pdf
  • H. Hartmann, W. Ilse and G. Gliemann: The restricted Fermigas. Theoretica Chimica Acta 1 (2) 155-158 (1963)
  • H. Sillescu, H. Hartmann: Nuclear quadrupole coupling in some cobalt (III) complexes. Theoretica chimica Acta. 2, 371-385 (1964) dissertation
  • H. Hartmann: The Benzene Formula A Brief Problem History. Angewandte Chemie 77 (17-18) 750-752 (1965)
  • H. Hartmann, E. Zeeck and A. Ludi: Calculation of states of complex ions with central field functions. Theoretica Chimica Acta) 3 (2), 182-193 (1965), doi: 10.1007 / BF00527350
  • H. Hartmann, K. Helfrich: Quantum mechanical two center models for acetylene, ethylene and ethane Quantum mechanical two center models for acetylene, ethylene and ethane; Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta) 10 (5), 189-198 (1968)
  • H. Hartmann, W. Jost. HG Wagner: elementary reactions. On the problem of reaction kinetic research. Reports of the Bunsen Society 72, 905–908 (1968)
  • H. Hartmann, J. Heidberg, H. Heydtmann, GH Kohlmaier (Ed.). Elementary chemical processes. Springer, Berlin (1968) (book)
  • HW Spiess, H. Haas, H. Hartmann: Anisotropic Chemical Shifts in Cobalt (III) Complexes. Journal of Chemical Physics 50 (7), 3057 (1969), Abstract
  • H. Hartmann: Chemical bonds in solids: Angewandte Chemie 83 (14) 521-523 (1971)
  • H. Hartmann, R. Schuck, J. Radtke: The diamagnetic susceptibility of a non-spherically symmetric system. Theoretica Chimica Acta 42 (1) 1-3 (1976)
  • H. Hartmann, K.-M. Chung: Quantum-Theoretical Treatment of Motions of Ions in Ion Cycloton Resonance Cells. Theoretica Chimica Acta 45, 137-145 (1977)
  • H. Hartmann: 25 years of ligand field theory. Pure and Applied Chemistry (6) 827-837 (1977), pdf
  • H. Hartmann, HC Longuet-Higgins: Erich Hückel. 9 August 1896 - 16 February 1980, Biog. Memoirs Fellows Roy. Soc. 28, 153 (1982)

Works and publications of important employees of H. Hartmann at the Institute for Physical Chemistry Frankfurt:

  • K. Jug: Application of a single-center method to the π-electron systems of five-heterocycles. University of Frankfurt (1965) Dissertation
  • HL Schläfer, G. Gliemann: Introduction to Ligand Field Theory, Akademische Verlagsgesellschaft, Frankfurt (1968)
  • E.-A. Reinsch. Theoretical considerations on the cyclotetraene synthesis according to Reppe. Theoretica Chimica Acta. 11: 296-306 (1968)
  • H. Kelm (Ed.): High Pressure Chemistry: Proceedings of the NATO Advanced Study Institute Held in Corfu, Greece, September 24-October 8, 1977. D. Reidel Pub Co (1978), ISBN 90-277-0935-1
  • H. Hartmann, K.-H. Lebert and K.-P. Wanczek: Ion cyclotron resonance spectroscopy . Topics in Current Chemistry, Volume 43.Springer, Berlin 1972.
  • H. Hartmann, K.-P. Wanczek: Ion Cyclotron Resonance Spectrometry, I . Lecture Notes in Chemistry 7. Springer, Berlin 1978.
  • H. Hartmann, K.-P. Wanczek: Ion cyclotron resonance spectrometry. II . Lecture Notes in Chemistry 31. Springer, Berlin 1982.

Research Center for Theoretical Chemistry, Glashütten (1972–1984)

  • H. Hartmann: A classic perturbation theory. Theoretica Chimica Acta 21, 185-190 (1971)
  • H. Hartmann: About the Hartreesche method. Theoretica Chimica Acta 27 (2) 147-149 (1972), doi: 10.1007 / BF00528157
  • H. Hartmann: The movement of a body in a ring-shaped potential field, Theoretica Chimica Acta 24, 201-206 (1972).
  • MW Morsy, A. Rabie, A Hilal, H Hartmann: Consequences of resonance tunneling in chemical kinetics. Theoretica Chimica Acta 35 (1) 1-15 (1974)
  • H. Hartmann, K.-M. Chung: On the Application of a Classical Perturbation Theory to the Theory of Coupled Fields. Theoretica Chimica Acta 47 (2) 147-156 (1978)
  • H. Hartmann, K.-M. Chung: Classical nonlinear field theory of chemical bonding. International Journal of Quantum Chemistry 18 (6) 1491-1503 (1980)
  • D. Schuch, KM Chung, and H. Hartmann: Nonlinear Schrödinger-type field equation for the description of dissipative systems. I. Derivation of the nonlinear field equation and one-dimensional example, Journal of Mathematical. Physics. 24: 1652-1660 (1983)

H. Hartmann's first co-worker at the Theoretical Chemistry Department for the establishment of his field theory of molecular behavior:

  • B. Pointer: Classical perturbation theory of non-reactive molecular interactions. University of Frankfurt (1975) Dissertation
  • W. Ulmer: On the Representation of Atoms and Molecules as Self-Interacting Field with Internal Structure. Theoretica Chimica Acta 55, 179-205 (1980)

literature

  • Hermann Hartmann on his 60th birthday . In: News for chemistry and technology . 22 (11). 1974.
  • H. Sillescu: Hermann Hermann 65 years . In: Journal of Electrochemistry . (B) 83, 461, 1979.
  • Yearbooks of the Academy of Sciences and Literature, Mainz . Steiner, Wiesbaden 1975–1980.
  • In memoriam: Professor Dr. (phil. nat.) Hermann Hartmann 1914–1984 . In: Theoretica Chimica Acta . 66, A5-A7. 1985. doi: 10.1007 / BF00547874
  • M. Trömel: The Frankfurt scholarly republic. New episode . Edited by G. Böhme. Schulz-Kirchner, Idstein 2002, pp. 199-214.
  • WHE Schwarz, F. Grein, K. Ruedenberg: In memoriam Hermann Hartmann, founder of TCA, on the occasion of his 100th birthday . Theoretical Chemistry Accounts 133 (8), 1508-1509, 2014. doi: 10.1007 / s00214-014-1508-3

Web links

Individual evidence

  1. ^ Biographical data, publications and academic family tree of Hermann Hartmann at academictree.org, accessed on February 8, 2018.
personal data
SURNAME Hartmann, Hermann
BRIEF DESCRIPTION German chemist
DATE OF BIRTH May 4, 1914
PLACE OF BIRTH Bischofsheim on the Rhön
DATE OF DEATH October 22, 1984
Place of death Glassworks (Taunus)