Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
105 (1996), S. 5348-5354
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
The sequential contact transformation technique is applied to the nuclear quadrupole coupling operator for a molecule containing a threefold symmetric internal rotor in order to be consistent with the transformed vibration–torsion–rotation Hamiltonian to be used in the analysis of the spectra of the molecule. Various higher-order effects on the nuclear quadrupole coupling energies, such as the centrifugal distortion, the anharmonic corrections and so on, are formulated for a molecule containing one quadrupolar nucleus. The detailed discussion is presented of vibrational–torsional–rotational dependence of these higher corrections to the quadrupole hyperfine energies. © 1996 American Institute of Physics.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.472403
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