Nuclear quadrupole coupling operator for a molecule with an internal rotor

1996 ◽  
Vol 105 (13) ◽  
pp. 5348-5354 ◽  
Author(s):  
Yun‐Bo Duan ◽  
Zhen‐Dong Sun ◽  
Kojiro Takagi
Keyword(s):  
Quadrupole Coupling ◽  
Coupling Operator ◽  
Nuclear Quadrupole ◽  
Internal Rotor

A Reanalysis of 14N Nuclear Quadrupole Coupling and Methyl Internal Rotation in the Rotational Spectra of Monomethyl Oxazoles and Isoxazoles

1990 ◽  
Vol 45 (7) ◽  
pp. 911-922 ◽  
Author(s):  
Eckhard R. L. Fliege
Keyword(s):  
Structural Parameters ◽  
Rotational Constants ◽  
Methyl Substitution ◽  
Rotational Spectra ◽  
Structural Relevance ◽  
Quadrupole Coupling ◽  
Rotor Angle ◽  
Nuclear Quadrupole ◽  
Torsional Analysis ◽  
Internal Rotor

AbstractPreviously published rotational frequencies of 2-, 4-, and 5-methyl oxazole and of 3- and 5-methyl isoxazole are reanalysed to obtain correct rotational constants (A constants in the first place) on the basis of hypothetically unsplit rotational centre frequencies. With these, r0-structural parameters of the respective methyl group could be determined, thus allowing us to consider the influence of methyl substitution on the 14N-quadrupole coupling tensor and the structural relevance of the internal rotor angle given by torsional analysis.14N nuclear quadrupole hfs and IAM methyl torsional analyses were redone with the correct rotational constants.

19F Nuclear Quadrupole Coupling in some Halomethanes

1986 ◽  
Vol 41 (1-2) ◽  
pp. 171-174 ◽  
Author(s):  
M. Frank ◽  
F. Gubitz ◽  
W. Ittner ◽  
W. Kreische ◽  
A. Labahn ◽  
...  
Keyword(s):  
Angular Distribution ◽  
Simple Model ◽  
Temperature Dependence ◽  
Coupling Constants ◽  
Temperature Dependent ◽  
Distribution Method ◽  
Quadrupole Coupling ◽  
Time Differential ◽  
Nuclear Quadrupole

The 19F quadrupole coupling constants in CF4, CHF3, CClF3 and CHClF2 are reported. The measurements were carried out temperature dependent using the time differential perturbed angular distribution method (TDPAD). The temperature dependence can be satisfactorily described in the framework of the Bayer-Kushida theory. A simple model is used to explain the appearance of H-F and Cl-F coupling constants in CHF3/CHClF2 and CClF3, respectively.

33S Nuclear Hyperfine Structure in the Rotational Spectrum of Thiazole

1993 ◽  
Vol 48 (12) ◽  
pp. 1219-1222 ◽  
Author(s):  
U. Kretschmer ◽  
H. Dreizler
Keyword(s):  
Fourier Transform ◽  
Hyperfine Structure ◽  
Molecular Beam ◽  
Microwave Spectroscopy ◽  
Coupling Constants ◽  
Rotational Spectrum ◽  
Centrifugal Distortion ◽  
Quadrupole Coupling ◽  
Nuclear Quadrupole ◽  
Centrifugal Distortion Constants

Abstract We investigated the 33S nuclear quadrupole coupling of thiazole- 33S in natural abundance by molecular beam Fourier transform microwave spectroscopy. In addition the 14N nuclear quadrupole coupling could be analyzed with high precision. We derived the rotational constants A = 8529.29268 (70) MHz, B = 5427.47098 MHz, and C = 3315.21676 (26) MHz, quartic centrifugal distortion constants and the quadrupole coupling constants of 33S χaa = 7.1708 (61) MHz and χbb= -26.1749 (69) MHz and of 14N χ aa = -2.7411 (61) MHz and χbb = 0.0767 (69) MHz.

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