Integrated intensities in hydrogen cyanide
- 15 August 1979
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 71 (4) , 1967-1972
- https://doi.org/10.1063/1.438510
Abstract
The integrated infrared intensities of five of the fundamental modes in HCN and DCN were measured by the Wilson–Wells–Penner–Weber method. The results are 53.3±0.3 and 57.7±1.1 km mol−1 for the Σ+ mode at 3312 K and the Π mode at 712 K, respectively, in HCN, and 27.2±0.4, 2.9±0.1, and 15.3±0.3 km mol−1 for the Σ+ modes at 2629 and 1921 K, and the Π mode at 569 K, respectively, in DCN. The dipole moment derivatives for the Σ+ modes obtained from these measurements and those obtained from recently reported ab initio calculations, which include valence shell configuration interaction, are found to be in essentially exact agreement with one another.Keywords
This publication has 23 references indexed in Scilit:
- Finite-field method calculations. IV. Higher-order moments, dipole moment gradients, polarisability gradients and field-induced shifts in molecular properties: Application to N2, CO, CN−, HCN and HNCChemical Physics, 1978
- On the relative signs of the CH and CN dipole moment derivatives of HCNThe Journal of Chemical Physics, 1978
- On the sign anomaly in the experimental and theoretical dipole moment derivative of HCNThe Journal of Chemical Physics, 1978
- Experimental determination of relative signs of dipole moment derivatives: HCN and DCNThe Journal of Chemical Physics, 1978
- Absolute integrated infrared absorption intensities of trichlorofluoromethane and trifluoroiodomethane fundamentals in the gas phase. Intensity sum ruleThe Journal of Physical Chemistry, 1975
- Calculated Dipole-Moment Functions and the Infrared Intensities of HCN and N2OThe Journal of Chemical Physics, 1970
- Integration Theorems on Vibrational IntensitiesThe Journal of Chemical Physics, 1959
- Vibrational Intensities. X. Integration TheoremsThe Journal of Chemical Physics, 1958
- Quantitative Infrared Intensity Measurements. I. Carbon Monoxide Pressurized with Infrared-Inactive GasesThe Journal of Chemical Physics, 1951
- The Experimental Determination of the Intensities of Infra-Red Absorption Bands I. Theory of the MethodThe Journal of Chemical Physics, 1946