AN EXPERIMENTAL DETERMINATION OF ANHARMONIC TERMS IN THE VIBRATIONAL HAMILTONIAN OF $HCO^{+}$.

Loading...
Thumbnail Image

Date

1999

Journal Title

Journal ISSN

Volume Title

Publisher

Ohio State University

Research Projects

Organizational Units

Journal Issue

Abstract

We report a harmonic frequency ω2=842.464cm−1, an anharmonic constant, x22=−3.15cm−1 and a vibrational angular momentum splitting constant g22=3.22cm−1 for the ground state 1Σ+ for HCO+. The constants are calculated based on experimentally measured Rydberg Series from the 3pπ electronic state which converge to the rovibrational thresholds of the cation (0000),(0110),(0200) and (0220). Along with these thresholds, we use the experimentally measured x23 anharmonic constant from Oka et al. and the theoretical x12 anharmonic constant from Puzzarini et al. and Lee et al. To further characterize the bending coordinate anharmonicity of the potential energy surface of HCO+, we assign Rydberg series obtained from the 3pπ2Π(030)ΣN=0 and 2 converging to rovibrational thresholds (0310) and (0330) in the cation. From this extrapolation, we refine our anharmonic constants for the ground electronic state for HCO.

Description

Author Institution: Department of Chemistry, Purdue University

Keywords

Citation