Potential Energy Surfaces and Vibrational Anharmonicity

作者: I. M. Mills

DOI: 10.1007/978-94-011-1974-0_5

关键词:

摘要: The central importance of the potential energy surface to interpretation molecular spectra is discussed, and methods determining PE are reviewed. harmonic force constant calculations for small amplitude vibrations reviewed, both from point view calculating vibration vibration-rotation field, inverse calculation in which field determined spectroscopic observations.

参考文章(13)
M. S. Child, R. T. Lawton, Local and normal vibrational states: a harmonically coupled anharmonic-oscillator model Faraday Discussions of the Chemical Society. ,vol. 71, pp. 273- 285 ,(1981) , 10.1039/DC9817100273
L. Halonen, M. S. Child, Local mode theory for C3v molecules: CH3D, CHD3, SiH3D, and SiHD3 The Journal of Chemical Physics. ,vol. 79, pp. 4355- 4362 ,(1983) , 10.1063/1.446317
James K.G. Watson, The numbers of structural parameters and potential constants of molecules Journal of Molecular Spectroscopy. ,vol. 41, pp. 229- 230 ,(1972) , 10.1016/0022-2852(72)90136-1
Harald H. Nielsen, The Vibration-Rotation Energies of Molecules Reviews of Modern Physics. ,vol. 23, pp. 90- 136 ,(1951) , 10.1103/REVMODPHYS.23.90
I.M. Mills, F.J. Mompean, Local modes and x,k relations in ethene and propadiene Chemical Physics Letters. ,vol. 124, pp. 425- 431 ,(1986) , 10.1016/0009-2614(86)85047-3
Raffaele Guido Della Valle, Local-mode to normal-mode hamiltonian transformation for X-H stretchings Molecular Physics. ,vol. 63, pp. 611- 621 ,(1988) , 10.1080/00268978800100421
James K.G. Watson, Simplification of the molecular vibration-rotation hamiltonian Molecular Physics. ,vol. 15, pp. 479- 490 ,(1968) , 10.1080/00268976800101381
I.M. Mills, A.G. Robiette, On the relationship of normal modes to local modes in molecular vibrations Molecular Physics. ,vol. 56, pp. 743- 765 ,(1985) , 10.1080/00268978500102691
A.R. Hoy, I.M. Mills, G. Strey, Anharmonic force constant calculations Molecular Physics. ,vol. 24, pp. 1265- 1290 ,(1972) , 10.1080/00268977200102361