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...
Gespeichert in:
Veröffentlicht 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 |
---|---|
Hauptverfasser: | , , , |
Format: | Artikel |
Sprache: | eng |
Online-Zugang: | Volltext |
Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
Zusammenfassung: | 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 |