MICROSCOPIC SOLVATION AND FEMTOCHEMISTRY OF CHARGE-TRANSFER REACTIONS- THE PROBLEM OF BENZENE(S)-IODINE BINARY COMPLEXES AND THEIR SOLVENTSTRUCTURES

Citation
Py. Cheng et al., MICROSCOPIC SOLVATION AND FEMTOCHEMISTRY OF CHARGE-TRANSFER REACTIONS- THE PROBLEM OF BENZENE(S)-IODINE BINARY COMPLEXES AND THEIR SOLVENTSTRUCTURES, Chemical physics letters, 242(4-5), 1995, pp. 369-379
Citations number
36
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00092614
Volume
242
Issue
4-5
Year of publication
1995
Pages
369 - 379
Database
ISI
SICI code
0009-2614(1995)242:4-5<369:MSAFOC>2.0.ZU;2-4
Abstract
Charge-transfer reactions are studied on the femtosecond and picosecon d time scales and under controlled composition in a molecular beam. Th e system of interest is iodine in aromatic and non-aromatic solvents, which goes back to Hildebrand and Mulliken almost 50 years ago. For th e first time, the isolated binary complex and its solvated structural dynamics are studied. The product iodine atoms are positively identifi ed and the concept of harpoon mechanism introduced. The dynamics are r elated to the impact geometry of the transition state and the electron ic structure. A global potential energy surface is described with mole cular dynamics detailing the motion in the reaction coordinates.