The role played by promoting modes and reorganization of reagents in tunneling of H atoms in the fluorene-acridine system

Authors
Trakhtenberg, LI Fokeev, AA Dolin, SP
Citation
Li. Trakhtenberg et al., The role played by promoting modes and reorganization of reagents in tunneling of H atoms in the fluorene-acridine system, RUSS J PH C, 75(6), 2001, pp. 875-880
Citations number
27
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY
ISSN journal
00360244 → ACNP
Volume
75
Issue
6
Year of publication
2001
Pages
875 - 880
Database
ISI
SICI code
0036-0244(200106)75:6<875:TRPBPM>2.0.ZU;2-B
Abstract
Potential energy surface profiles were calculated for hydrogen atom transfe r in the fluorene-acridine system. It was shown that there existed an optim al configuration of the reagents at which the potential barrier to chemical reactions was minimum. The corresponding reorganization of the reagents wa s calculated. The influence of various promoting vibrations (translational, librational, and intramolecular) on the rate constant and its temperature dependence was analyzed.