Preliminary Rovibrational Analysis of the nν6+ν1−nν6 Vibration in HCN⋅⋅⋅HF

Authors

E. Kyrö
K. McMillan
M. Eliades
D. Danzeiser
P. Shoja-Chaghervand
Shannon Lieb, Butler UniversityFollow
J. W. Bevan

Document Type

Article

Publication Date

1983

Publication Title

The Journal of Chemical Physics

First Page

5881

Last Page

5885

DOI

http://dx.doi.org/10.1063/1.444607

Abstract

A preliminary rotation‐vibration analysis of the n=0 and n=1 subbands associated with the nν₆+ν₁−nν₆ hydrogen‐bonded vibration in HCN⋅⋅⋅HF has been completed. The following excited staterotational constantsB′ and band origin frequencies ν₀ have been determined for the complex. The results are consistent with a rotation‐vibration interaction constant α₁=−68.3±1 MHz which correlates with an excited stater(N⋅⋅⋅F) internuclear distance of 2.762 Å, a decrease of 0.034 Å relative to the ground state.Excited state lifetimes associated with assigned transitions are demonstrated to be ≥1.8×10^{− 1 0}s while the x _{1 6} anharmonic constant is evaluated to be 4.01±0.03 cm^{− 1}.

Rights

This article was archived with permission from AIP Publishing, all rights reserved. Document also available from The Journal of Chemical Physics.

Recommended Citation

Kyrö, E.; McMillan, K.; Eliades, M.; Danzeiser, D.; Shoja-Chaghervand, P.; Lieb, Shannon; and Bevan, J. W., "Preliminary Rovibrational Analysis of the nν6+ν1−nν6 Vibration in HCN⋅⋅⋅HF" The Journal of Chemical Physics / (1983): 5881-5885.
Available at https://digitalcommons.butler.edu/facsch_papers/779