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Published August 25, 1995 | public
Journal Article

Microscopic solvation and femtochemistry of charge-transfer reactions: the problem of benzene(s)-iodine binary complexes and their solvent structures

Abstract

Charge-transfer reactions are studied on the femtosecond and picosecond time scales and under controlled composition in a molecular beam. The system of interest is iodine in aromatic and non-aromatic solvents, which goes back to Hildebrand and Mulliken almost 50 years ago. For the first time, the isolated binary complex and its solvated structural dynamics are studied. The product iodine atoms are positively identified and the concept of harpoon mechanism introduced. The dynamics are related to the impact geometry of the transition state and the electronic structure. A global potential energy surface is described with molecular dynamics detailing the motion in the reaction coordinates.

Additional Information

© 1995 Elsevier B.V. Received 30 June 1995. This research is supported by grants from the National Science Foundation and the US Air Force Office of Scientific Research. We wish to thank the referee for the thorough reading of the manuscript and for valuable suggestions.

Additional details

Created:
August 20, 2023
Modified:
October 20, 2023