Dynamical aspects of stereochemistry

R. B. Bernstein*, D. R. Herschbach, R. D. Levine

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

157 Scopus citations

Abstract

The first workshop on an emerging subfield of chemical dynamics, dubbed dynamical stereochemistry, was held in Jerusalem, Israel in November, 1986. Outlined here is the program of the meeting, followed by an overview intended to place the subject of reactive stereochemistry in a wider context and to emphasize the major themes. These include classical stereochemical considerations (ab-initio and "molecular mechanics" force fields calculations of conformations); the concept of the steric effect in chemical reactions and its relation to the angle-dependence of the activation barrier; experiments on the elusive transition state itself; orientation vs. spatial alignment of reagents and products as realized in experimental methods and theoretical descriptions; reagent and product state selection, orientation, and angular momentum alignment descriptions, in both reactive collisions and in half-collisions (i.e., photofragmentation); orientation effects in electronically nonadiabatic reactions; polarized laser excitation and product fluorescence polarization analysis, exemplifying vector correlations in dynamical stereochemistry. Finally, prospects for the future are briefly discussed.

Original languageEnglish
Pages (from-to)5365-5377
Number of pages13
JournalJournal of Physical Chemistry
Volume91
Issue number21
DOIs
StatePublished - 1987

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