1991 Fiscal Year Final Research Report Summary
Theories of Chemical Reaction Dynamics
| Project/Area Number |
01303001
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| Research Category |
Grant-in-Aid for Co-operative Research (A)
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| Allocation Type | Single-year Grants |
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| Research Field |
物理化学一般
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| Research Institution | KYOTO UNIVERSITY (1990-1991)
The University of Tokyo (1989) |
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Principal Investigator |
KATO Shigeki Kyoto Univ.,Science, Professor, 理学部, 教授 (20113425)
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| Co-Investigator(Kenkyū-buntansha) |
KAJIMOTO Okitsugu Kyoto Univ.,Science,Professor, 理学部, 教授 (30029483)
OHMINE Iwao Institute for Molecular Science, Associate Professor, 助教授 (60146719)
TSUKADA Masaru Tokyo Univ.,Science, Professor, 理学部, 教授 (90011650)
IWATA Suehiro Keio Univ.,Science, Professor, 理工学部, 教授 (20087505)
NAKAMURA Hiroki Institute for Molecular Science, Professor, 教授 (10010935)
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| Project Period (FY) |
1989 – 1991
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| Keywords | Chemical Reaction / Reaction Dynamics / Reactive Scattering / Semicalssical Theory / Electronic Relaxation / Photodissociation / Collective Motion / Reactions in Solution |
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| Research Abstract |
This research project started in 1989 with the aim to develop new theoretical methods of chemical reaction dynamics. Each investigator participated in this project belonged to one of the three research groups:
(1) elementary processes of gas phase chemical reactions, (2) electronic relaxation dynamics of excited state molecules, and (3) reactions in condensed phase.
For the first group, theoretical methods to calculate the cross section of reactive scattering within the framework of quantum mechanics were the one of objects. We succeeded to carry out the first principle calculations for the reactions of atom-diatomic systems. The semiclassical theories of chemical reactions were also developed. In particular, the new formulation of quantization for the classical chaotic motion was proposed.
In the second group, theoretical studies to find out the condition to control the chemical reaction paths by the laser beam were carrier out. We also calculated the potential surfaces of photodissociation reactions and examined the role of potential surfaces on the reaction dynamics.
In the third group, the collective motion in water was studied because it is an important clue to understand the chemical reactions in solution. We also carried out theoretical studies on the dynamics of solution phase chemical reactions such as the photoinduced electron transfer reaction between anthracene and dimethylaniline and electron-ion recombination reaction. The dynamics theories of adsorption of molecules on the metal surfaces were further investigated.
In conclusion, this research project was fruitful and contributed to the development of researches of chemical reaction dynamics in our country.
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