Investigation of the multielectron dynamics of chemical reactions based on time-dependent molecular orbital picture: Its development and experimental verification

2015 Fiscal Year Final Research Report

• Project/Area Number: 24245001
• Research Category: Grant-in-Aid for Scientific Research (A)
• Allocation Type: Single-year Grants
• Section: 一般
• Research Field: Physical chemistry
• Research Institution: Tohoku University
• Principal Investigator: Kono Hirohiko 東北大学, 理学(系)研究科(研究院), 教授 (70178226)
• Co-Investigator(Kenkyū-buntansha): HISHIKAWA Akiyosi 名古屋大学, 大学院理学研究科, 教授 (50262100) ; KOSEKI Shiro 大阪府立大学, 大学院理学系研究科, 教授 (80252328)
• Co-Investigator(Renkei-kenkyūsha): KATO Tsuyoshi 東京大学, 大学院理学系研究科, 准教授 (10321986) ; KANNO Manabu 東北大学, 大学院理学研究科, 助教 (30598090) ; FUSHITANI Mizuho 名古屋大学, 大学院理学研究科, 講師 (50446259) ; Matsuda Akitaka 名古屋大学, 大学院理学研究科, 助教
• Project Period (FY): 2012-04-01 – 2016-03-31
• Keywords: 多電子ダイナミクス / 化学反応動力学 / レーザー制御 / クーロン爆破 / 時間分解分子イメージング / 高次高調波発生 / 時間依存化学ポテンシャル / 原子分割エネルギー

Outline of Final Research Achievements

We investigated the multielectron dynamics of molecules such as CO and N2 in intense laser fields by using electronic and nuclear wavepacket propagation methods and proposed laser control schemes of the generation of higher order harmonics which is a source of attosecond pulses. We experimentally demonstrated that the two C-O bonds of CO2 can be asymmetrically cleaved by changing the phase between two-color pulses, which provides a new possibility of the laser control of chemical reactions. We also established a method to simulate XFEL-induced Coulomb explosion of molecules for time-resolved molecular imaging．The results of application to iodouracil etc. are in good agreement with the experimental results.

Free Research Field

化学反応動力学理論