ONE-DIMENSIONAL TREATMENT OF HYDROGEN BOND PART 2

Abstract

The potential function of Lippincott and Schroeder for linear hydrogen bond has
been re-examined and extended to nonlinear hydrogen bond. The parameters originally
introduced to the potential function by Lippincott and Schroeder have been
determined from the structural parameters such as 0.. .Odistance 0-H bond distance,
H.. .O distance and HOO angle. Thevalidity of harmonic oscillator approximation for
calculation of OH stretching frequency from the second derivative of this serniempirical
potential function has been investigated.