| Project/Area Number |
10044054
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| Research Category |
Grant-in-Aid for Scientific Research (B).
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Physical chemistry
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| Research Institution | TOHOKU UNIVERSITY |
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Principal Investigator |
FUJIMURA Yuichi Graduate School of Science, Tohoku University, Professor, 大学院・理学研究科, 教授 (90004473)
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| Co-Investigator(Kenkyū-buntansha) |
OHTSUKI Yukiyoshi Graduate School of Science, Tohoku University, Research Associate, 大学院・理学研究科, 助手 (40203848)
KONO Hirohiko Graduate School of Science, Tohoku University, Associate Professor, 大学院・理学研究科, 助教授 (70178226)
CHELKOWSKI S sherbrooke大学, 化学科, 講師
BANDRAUK And sherbrooke大学, 化学科, 教授
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| Project Period (FY) |
1998 – 1999
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| Project Status |
Completed (Fiscal Year 1999)
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| Budget Amount *help |
¥2,200,000 (Direct Cost: ¥2,200,000)
Fiscal Year 1999: ¥1,100,000 (Direct Cost: ¥1,100,000)
Fiscal Year 1998: ¥1,100,000 (Direct Cost: ¥1,100,000)
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| Keywords | vantum control / wave packet / orientation / laser control / photon-polarization / chemical reaction / hydrogen cyanide / electronic wave packet / 化学反応・ダイナミクス / クーロン爆発 / 反応ダイナミクス / コヒーレントコントロール / レーザー制御 / フェムト秒化学 |
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| Research Abstract |
The main purpose of this research project was to develop a theory for quantum control of chemical reaction dynamics. For this purpose, we have concentrated ourselves to three subjects : 1) control of nuclear wave packets by polarized laser lights, 2) quantum control of molecular orientation and 3) exact solutions of both nuclear and electronic wave packet motion. The results of these subjects are summarized as follows.
1. Control of nuclear wave packets by polarized laser pulses
We have developed a quantum control theory of reactions of multidimensional system by take into account effects of photon-polarization. This theory has been applied to isomerization of hydrogen cyanide induced by two linearly polarized laser pulses and has proved that such polarized laser pulses are effectively promote rates of the isomerization. Such double polarized pulses are also used to control chemically interesting reactions, such as selective preparation of enantiomers from racemic body.
2. Quantum control
… More
of molecular orientation
It is very important to orient molecules in gas phase in order to control gas-phase reactions. We have developed a theory of molecular orientation, which is based on interferences between dipole transitions and non resonant Raman scattering. The variables are frequencies ω and 2ω of two-photon fields, its phase differences and amplitudes of the photon fields. This theory has been applied to HCN by performing abinitio MO calculation of dipole moment and polarizability functions. Effects of rotations are taken into account.
3. Exact solutions of both nuclear and electronic wave packet motion
In order to describe ultra short dynamics of molecules under intense pulse laser, which brings about Coulomb explosions, it is essential to treat both electrons and nuclei as wave packets. We have succeeded in exactly solving time-dependent Schroedinger equation of a simple diatomic molecules in terms of wave packets. This is base on a dual transformation to avoid divergence of energy at critical points. Less
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