Breakdown of born-oppenheimer approximation as a physical mechanism for ultrafast hydrogen migrations in strong laser driven molecules
Journal
Journal of the Chinese Chemical Society
Journal Volume
60
Journal Issue
10
Pages
1207-1211
Date Issued
2013
Author(s)
Abstract
We propose a physical mechanismbased on breakdown of the Born-Oppenheimer approximation to rationalize the ultrafast hydrogen migration in strong laser driven isomerization reactions. Athree nuclei (proton, donor, and acceptor) model is employed to develop a three step solution scheme. The proton-donor Coulomb repulsion is shown to be responsible for the high proton mobility.We identify a proton tunneling process and use the Keldysh-Faisal-Reiss theory to calculate the tunneling probability. The effect of laser parameters (intensity, frequency, polarization, and pulse duration) has been studied and found to be consistent with recent experiments. © 2013 The Chemical Society Located in Taipei & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
SDGs
Type
journal article