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Does solvation cause symmetry breaking in the I[sub 3][sup -] ion in aqueous solution?

Authors :
Lynden-Bell, R.M.
Kosloff, R.
Source :
Journal of Chemical Physics. 12/8/1998, Vol. 109 Issue 22, p9928. 10p. 2 Charts, 6 Graphs.
Publication Year :
1998

Abstract

Examines immersion in hydrogen-bonding solvents leading to breakage of the centro-symmetry of the tri-iodide ion by computer simulation. Fundamental problems in the simulation of the tri-iodide ion; Calculation of the polarization energy; Stability of solvated ion; Estimation of vibrational energy and phase relaxation.

Details

Language :
English
ISSN :
00219606
Volume :
109
Issue :
22
Database :
Academic Search Index
Journal :
Journal of Chemical Physics
Publication Type :
Academic Journal
Accession number :
4137287
Full Text :
https://doi.org/10.1063/1.477659