Hyperfine structure in internal rotor molecules
نویسندگان
چکیده
منابع مشابه
Hyperfine Structure Constants for Diatomic Molecules
The multiconfiguration valence-bond method (VB) is applied to diatomic molecules using the Hartree-Fock (HF) atomic basis set. The hyperfine constant, Fermi contact term, is computed as a function of the interatomic separation for the X2∏ ground state of 17OH and X1∑ ground state of 107AgH+ molecules. This study leads to a number of conclusions about the influence of correlation and polarizatio...
متن کاملHyperfine interactions and internal rotation in methanol.
We present a rigorous derivation of the nuclear spin-rotation and spin-torsion coupling terms in the hyperfine Hamiltonian for molecules with internal rotation. Our formulas differ from the expressions derived by Heuvel and Dymanus [J. Mol. Spectrosc. 47, 363 (1973)], which these authors used and which were also applied recently by others to interpret experimental hyperfine spectra of such mole...
متن کاملHyperfine-induced lifting of parity degeneracy in noninverting molecules.
We report experimental evidence for the splitting of E levels in SiF4, which are degenerate in parity as far as the rovibrational Hamiltonian solely is concerned. The parity degeneracy of rovibrational levels is in fact lifted by hyperfine interactions, even though the associated total spin is I 0. We compare this situation with that in other molecules (SF 6 and PH 3) for which similar effect...
متن کاملHyperfine effects in the nuclear magnetic resonance of paramagnetic molecules
Paramagnetic, or open-shell, systems are often encountered in the context of metalloproteins, and they are also an essential part of molecular magnets. Nuclear magnetic resonance (NMR) spectroscopy is a powerful tool for chemical structure elucidation, but for paramagnetic molecules it is substantially more complicated than in the diamagnetic case. Before the present work, the theory of NMR of ...
متن کاملHyperfine Structure and Tunneling Motion in Ethylenediamine
The first investigation of the microwave spectrum of ethylenediamine (NH CH –CH NH ) showed that in the gas phase this molecule occurs in two conformers which both exhibit a large amplitude tunneling motion corresponding to an interchange of the roles of the amino groups. In conformer I, the tunneling splitting is about 172 MHz while it is only 2.7 MHz in conformer II. In the paper an analysis ...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Journal of Molecular Spectroscopy
سال: 1973
ISSN: 0022-2852
DOI: 10.1016/0022-2852(73)90088-x