Vibration—Rotation Interaction in Symmetric‐Top Molecules and the Splitting between A1 and A2 Levels

作者: Takeshi Oka

DOI: 10.1063/1.1701809

关键词:

摘要: The main purpose of this paper is to reformulate the theory vibration—rotation interaction in symmetric‐top molecules a way which more accessible practicing spectroscopists than current contact transformation formalism. Also it pointed out that many accurately measured l‐type doubling constants can provide information on cubic as well quadratic potential constants. In Sec. I, analytical expressions for splitting between A1 and A2 rovibrational states are derived starting from Wilson—Howard equation. Although result agrees with Grenier—Besson's formula, method derivation new following three points: (1) scheme orders magnitude terms appearing Hamiltonian has been made definite way. (2) Symmetry considerations relations various have fully used derivation. (3) standard perturbation instead transformation. orde...

参考文章(13)
W. S. Benedict, N. Gailar, Earle K. Plyler, Rotation‐Vibration Spectra of Deuterated Water Vapor The Journal of Chemical Physics. ,vol. 24, pp. 1139- 1165 ,(1956) , 10.1063/1.1742731
J. C. Decius, E. B. Wilson, P. C. Cross, Benson R. Sundheim, Molecular Vibrations: The Theory of Infrared and Raman Vibrational Spectra ,(1955)
Takeshi Oka, Microwave Spectrum of Formaldehyde II. Molecular Structure in the Ground State Journal of the Physical Society of Japan. ,vol. 15, pp. 2274- 2279 ,(1960) , 10.1143/JPSJ.15.2274
Kozo Kuchitsu, L. S. Bartell, Effect of Anharmonic Vibrations on the Bond Lengths of Polyatomic Molecules. I. Model of Force Field and Application to Water The Journal of Chemical Physics. ,vol. 36, pp. 2460- 2469 ,(1962) , 10.1063/1.1732909
J.L. Duncan, I.M. Mills, The calculation of force constants and normal coordinates—IV XH4 and XH3 molecules Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. ,vol. 20, pp. 523- 546 ,(1964) , 10.1016/0371-1951(64)80047-3
M. L. Grenier-Besson, Résonances et dédoublements rotationnels du type l dans les molécules à symétrie axiale Journal De Physique Et Le Radium. ,vol. 21, pp. 555- 565 ,(1960) , 10.1051/JPHYSRAD:01960002106055500
H. Sponer, Electronic Spectra of Polyatomic Molecules Reviews of Modern Physics. ,vol. 13, pp. 75- 170 ,(1941) , 10.1103/REVMODPHYS.13.75