Magnetic interactions in 1Σ states of molecules with one large-amplitude motion coordinate
作者： V. Špirko
DOI: 10.1080/00268978100101651
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摘要: The complete hamiltonian for a diamagnetic non-rigid molecule with one large-amplitude vibrational coordinate in the presence of constant magnetic field is derived. Using this simple approximate theory inversional Zeeman effect elaborated. used to determine g-tensor function 14NH3 and 15NH3 estimate differences rotational g-factors their inversion ground states. In addition, effective inversionally excited states are estimated. predictions reveal that dependence not only rather strong but also non-monotonic.
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sci-hub.se 参考文章(17)
Jon T. Hougen, Rotational Energy Levels of a Linear Triatomic Molecule in a 2Π Electronic State The Journal of Chemical Physics. ,vol. 36, pp. 519- 534 ,(1962) , 10.1063/1.1732544
S.G. Kukolich, Magnetic susceptibility anisotropy and molecular quadrupole moment in 14NH3 Chemical Physics Letters. ,vol. 5, pp. 401- 404 ,(1970) , 10.1016/0009-2614(70)80047-1
J.T. Hougen, P.R. Bunker, J.W.C. Johns, The vibration-rotation problem in triatomic molecules allowing for a large-amplitude bending vibration Journal of Molecular Spectroscopy. ,vol. 34, pp. 136- 172 ,(1970) , 10.1016/0022-2852(70)90080-9
S.G. Kukolich, W.H. Flygare, Molecular g values, magnetic susceptibilities, molecular quadrupole moment, and spin-rotation interaction in 15NH3 Molecular Physics. ,vol. 17, pp. 127- 133 ,(1969) , 10.1080/00268976900100871
W. H. Flygare, Magnetic interactions in molecules and an analysis of molecular electronic charge distribution from magnetic parameters Chemical Reviews. ,vol. 74, pp. 653- 687 ,(1974) , 10.1021/CR60292A003
W. Hüttner, H.K. Bodenseh, P. Nowicki, The vibrational Zeeman effect in HC ≡ CF and DC ≡ CF Molecular Physics. ,vol. 35, pp. 729- 745 ,(1978) , 10.1080/00268977800100551
P.R. Bunker, R.E. Moss, The effect of the breakdown of the Born-Oppenheimer approximation on the rotation-vibration Hamiltonian of a triatomic molecule Journal of Molecular Spectroscopy. ,vol. 80, pp. 217- 228 ,(1980) , 10.1016/0022-2852(80)90283-0
V. Špirko, J.M.R. Stone, D. Papoušek, Vibration-inversion-rotation spectra of ammonia: Centrifugal distortion, Coriolis interactions, and force field in 14NH3, 15NH3, 14ND3, and 14NT3 Journal of Molecular Spectroscopy. ,vol. 60, pp. 159- 178 ,(1976) , 10.1016/0022-2852(76)90123-5
V. Špirko, J.M.R. Stone, D. Papoušek, Vibration-inversion-rotation spectra of ammonia. The “inverse” eigenvalue problem for the one-dimensional Schrödinger equation☆ Journal of Molecular Spectroscopy. ,vol. 48, pp. 38- 46 ,(1973) , 10.1016/0022-2852(73)90133-1
P.R. Bunker, C.J. McLarnon, R.E. Moss, Application of the effective vibration-rotation hamiltonian to H2 and D2 Molecular Physics. ,vol. 33, pp. 425- 429 ,(1977) , 10.1080/00268977700100361