Dipole Correlation of the Electronic Structures of theConformations of Water Molecule Evolving Through theNormal Modes of Vibrations Between Angular (C2v) to Linear(DâˆÂh) Shapes

Dipole Correlation of the Electronic Structures of theConformations of Water Molecule Evolving Through theNormal Modes of Vibrations Between Angular (C2v) to Linear(DâˆÂh) Shapes

In order to settle the issue of equivalence or non-equivalence of the two lone pairsof electrons on oxygen atom in water molecule, a quantum chemical study of the dipolecorrelation of the electronic structure of the molecule as a function of conformationsgenerated following the normal modes of vibra...

Full description

Bibliographic Details
Main Authors: Arindam Chakraborty, Dulal C. Ghosh
Format: Article
Language:English
Published: MDPI AG 2006-03-01
Series:International Journal of Molecular Sciences
Subjects:
Atomic dipole
hybridization
lone pair
localized orbitals
energy partitioning
barrier to inversion.
Online Access:http://www.mdpi.com/1422-0067/7/3/71/

Internet

http://www.mdpi.com/1422-0067/7/3/71/

Similar Items