Combined Infrared and Microwave Determination of Torsional Parameters
作者： Claire E. Souter , J. L. Wood
DOI: 10.1063/1.1673039
关键词: Vibration 、 Microwave 、 Infrared 、 Analytical chemistry 、 Coupling 、 Atomic physics 、 Consistency (statistics) 、 Chemistry 、 Moment (physics) 、 Fourier series 、 Physical and Theoretical Chemistry 、 General Physics and Astronomy
摘要: Considerable discrepancies are frequently observed between the values of torsional barriers determined by microwave splitting and those obtained from far‐infrared transitions, if usual rigid‐top–rigid‐frame model is employed. If a nonrigid which includes first‐order coupling with internal vibrations used, requirement consistency infrared data permits barrier Fourier coefficients V3 V6 to be evaluated without any prior choice value Ired, reduced moment top. This has hitherto been principal source uncertainty in determination parameters. The parameters F, S, α, β also independently evaluated; these Iα determined. Comparison “self‐consistent” “a priori” such as indicates extent interaction other normal vibrations. limitation treatment involved neglect second‐order vibrational terms, centrifugal di...
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