Parametric approach to centrifugal distortion constants: Application to bent symmetric XY2-type molecules
作者： T.R. Ananthakrishnan , C.P. Girijavallabhan , G. Aruldhas
DOI: 10.1016/0022-2852(76)90129-6
关键词: Vibration 、 Single parameter 、 Distortion 、 Type (model theory) 、 Molecule 、 Parametric statistics 、 Bent molecular geometry 、 Function (mathematics) 、 Physics 、 Mathematical analysis 、 Physical and Theoretical Chemistry 、 Spectroscopy 、 Atomic and Molecular Physics, and Optics
摘要: Abstract A method to generate all the mathematically possible values of centrifugal distortion constants a molecule compatible with its vibration frequencies is developed. Application XY 2 -bent symmetric-type molecules enables mapping τ αβγδ as function single parameter. The use in defining limits well refining experimental discussed. also opens up route fix force unambiguously employing additional data. numerical example SeO given illustrate general procedure.
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sci-hub.se 参考文章(10)
E. Bright Wilson, Some Mathematical Methods for the Study of Molecular Vibrations Journal of Chemical Physics. ,vol. 9, pp. 76- 84 ,(1941) , 10.1063/1.1750829
F. To¨ro¨k, P. Pulay, Investigation of the molecular force field with the help of parameter representation of force constants: I. Parameter representation and assignment Journal of Molecular Structure. ,vol. 3, pp. 1- 9 ,(1969) , 10.1016/0022-2860(69)80001-3
Harutoshi Takeo, Eizi Hirota, Yonezo Morino, Third-order potential constants and dipole moment of SeO2 by microwave spectroscopy Journal of Molecular Spectroscopy. ,vol. 41, pp. 420- 422 ,(1972) , 10.1016/0022-2852(72)90216-0
Willis B. Person, Bryce Crawford, A Geometric Visualization of Normal‐Coordinate Transformations. Application to the Calculation of Bond‐Moment Parameters and Force Constants The Journal of Chemical Physics. ,vol. 26, pp. 1295- 1301 ,(1957) , 10.1063/1.1743511
William J. Taylor, General Form of the Force Constant Matrix for Harmonic Vibrations The Journal of Chemical Physics. ,vol. 18, pp. 1301- 1302 ,(1950) , 10.1063/1.1747937
Harutoshi Takeo, Eizi Hirota, Yonezo Morino, Equilibrium structure and potential function of selenium dioxide by microwave spectroscopy Journal of Molecular Spectroscopy. ,vol. 34, pp. 370- 382 ,(1970) , 10.1016/0022-2852(70)90020-2
Daniel Kivelson, E. Bright Wilson, Theory of Centrifugal Distortion Constants of Polyatomic Rotor Molecules The Journal of Chemical Physics. ,vol. 21, pp. 1229- 1236 ,(1953) , 10.1063/1.1699170
T.R. Ananthakrishnan, G. Aruldhas, The calculation of unique force constants Journal of Molecular Structure. ,vol. 13, pp. 163- 169 ,(1972) , 10.1016/0022-2860(72)87003-0
T.R. Ananthakrishnan, C.P. Girijavallabhan, G. Aruldhas, The determination of force constants from isotopic frequencies using parameter representation Journal of Molecular Structure. ,vol. 16, pp. 149- 157 ,(1973) , 10.1016/0022-2860(73)80050-X
B. N. Cyvin, I. Elvebredd, S. J. Cyvin, Theory and Calculation of Centrifugal Distortion Constants for Polyatomic Molecules Part II. Application to Molecular Models Zeitschrift für Naturforschung A. ,vol. 24, pp. 139- 142 ,(1969) , 10.1515/ZNA-1969-0116