Electrooptical Properties and Molecular Polarization of Iodine, I2

Experimental and theoretical efforts are combined to determine a reliable value of the static dipole polarizability of I2. The experimental estimate of the mean dipole polarizability is α = 69.7 ± 1.8e 2 a 0 2 E h -1. The polarizability of the iodine atom has also been deduced from experimental meas...

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Bibliographic Details
Published in:The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 1997-01, Vol.101 (5), p.953-956
Main Authors: Maroulis, George, Makris, Constantinos, Hohm, Uwe, Goebel, Dirk
Format: Article
Language:English
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Summary:Experimental and theoretical efforts are combined to determine a reliable value of the static dipole polarizability of I2. The experimental estimate of the mean dipole polarizability is α = 69.7 ± 1.8e 2 a 0 2 E h -1. The polarizability of the iodine atom has also been deduced from experimental measurements and is estimated at 32.9 ± 1.3e 2 a 0 2 E h -1. Accurate ab initio calculations predict α = 70.9 ± 1.4e 2 a 0 2 E h -1 and for the anisotropy Δα = 41.2 ± 0.8e 2 a 0 2 E h -1. The deformation of the iodine molecule in the presence of general static fields has been studied and analyzed.
ISSN:1089-5639
1520-5215
DOI:10.1021/jp962578u