OVERALL ROTATION ALONG A REACTION-PATH

Citation
X. Chapuisat et A. Nauts, OVERALL ROTATION ALONG A REACTION-PATH, Molecular physics, 82(6), 1994, pp. 1131-1150
Citations number
22
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00268976
Volume
82
Issue
6
Year of publication
1994
Pages
1131 - 1150
Database
ISI
SICI code
0026-8976(1994)82:6<1131:ORAAR>2.0.ZU;2-5
Abstract
It is shown that, along a reaction path defined as a line in an atomic Cartesian component configuration space (whatever the actual definiti on of this line, provided that it joins continuously the reagent and t he product representative points through all intermediate stationary p oints), overall (i.e. tumbling) rotation of the body-fixed frame of re ference linked with the molecular system (the only relevant definition of 'molecular rotation' for a very deformable molecular system) neces sarily takes place, a point generally overlooked and even sometimes de nied.