Laser field control of 1,3-cyclohexadiene isomerization

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Abstract/Contents

Abstract
Conical Intersections play a crucial role in quantum molecular dynamics, especially in polyatomic molecules where they are ubiquitous due to large degrees of freedom. We have explored the effects of light fields on conical intersections and multidimensional nonadiabatic dynamics in 1,3-cyclohexadiene (CHD). These experiments have demonstrated control of the photoinduced isomerization dynamics of CHD to 1,3,5-hexatriene in the presence of an ultrafast laser pulse. We have found that the laser field maximally suppresses isomerization if it is both polarized parallel to the excitation dipole and present 50 fs after the initial photoabsorption, at the time when the system is expected to be in the vicinity of a conical intersection that mediates this structural transition. A modified ab initio multiple spawning method was developed that showed that the laser induces a resonant coupling between the excited state and the ground state, i.e., a light-induced conical intersection. These calculations explain both the optimal timing of the control, and the photochemical process behind it.

Description

Type of resource text
Form electronic; electronic resource; remote
Extent 1 online resource.
Publication date 2015
Issuance monographic
Language English

Creators/Contributors

Associated with Kim, Jaehee
Associated with Stanford University, Department of Physics.
Primary advisor Bucksbaum, Philip H
Thesis advisor Bucksbaum, Philip H
Thesis advisor Martinez, Todd J. (Todd Joseph), 1968-
Thesis advisor Reis, David A, 1970-
Advisor Martinez, Todd J. (Todd Joseph), 1968-
Advisor Reis, David A, 1970-

Subjects

Genre Theses

Bibliographic information

Statement of responsibility Jaehee Kim.
Note Submitted to the Department of Physics.
Thesis Thesis (Ph.D.)--Stanford University, 2015.
Location electronic resource

Access conditions

Copyright
© 2015 by Jaehee Kim
License
This work is licensed under a Creative Commons Attribution Non Commercial 3.0 Unported license (CC BY-NC).

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