Intramolecular Interactions in the Water Molecule: The Stretch–Stretch Interaction Force Constant of Water Molecules in Hydrogen-Bonded Systems

A. Fifer, Robert; Schiffer, J.

doi:10.1063/1.1673355

Public

Intramolecular Interactions in the Water Molecule: The Stretch–Stretch Interaction Force Constant of Water Molecules in Hydrogen-Bonded Systems

Published in The Journal of Chemical Physics • Mar 1, 1970

Authors:

Robert A. Fifer

J. Schiffer

Abstract

A calculation is described for determining water molecule Frr force constants from observed HOD, H2O, and D2O vibrational frequencies. The calculations for water in the vapor and in the hydrates MnCl2·2H2O, FeCl2·2H2O, CoCl2·2H2O, and CuCl2·2H2O indicate a large increase in Frr with hydrogen bonding...

Subject

Intramolecular force

Hydrogen bond

Molecule

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