Internal Rotation and the Chlorine Nuclear Quadrupole Coupling Tensor of 1-Chloropropane

1997 ◽  
Vol 184 (1) ◽  
pp. 60-77 ◽  
Author(s):  
Ana de Luis ◽  
M.Eugenia Sanz ◽  
Felipe J. Lorenzo ◽  
Juan C. López ◽  
José L. Alonso
Keyword(s):  
Internal Rotation ◽  
Coupling Tensor ◽  
Quadrupole Coupling ◽  
Nuclear Quadrupole

The 33S Nuclear Quadrupole Hyperfine Structure in the Rotational Spectrum of 32S, 33S Dimethyl Disulfide

1995 ◽  
Vol 50 (2-3) ◽  
pp. 131-136 ◽  
Author(s):  
H. Hartwig ◽  
U. Kretschmer ◽  
H. Dreizler
Keyword(s):  
Molecular Beam ◽  
Dimethyl Disulfide ◽  
Microwave Spectroscopy ◽  
Rotational Spectrum ◽  
Centrifugal Distortion ◽  
Coupling Tensor ◽  
Quadrupole Coupling ◽  
Rotation Parameters ◽  
Nuclear Quadrupole ◽  
Centrifugal Distortion Constants

Abstract We investigated the rotational spectrum of 32S, 33S dimethyl disulfide in natural abundance by molecular beam Fourier transform microwave spectroscopy. We were able to determine the com­plete 33S quadrupole coupling tensor, the rotational and centrifugal distortion constants and the internal rotation parameters of the two methyl tops. The rotational constants were found to be A = 8113.8847(23) MHz, B = 2800.6203(30) MHz and C = 2557.2245 (32) MHz. The results are compared with former publications.

ChemInform Abstract: The Chlorine Nuclear Quadrupole Coupling Tensor in Chlorotrifluoroethylene.

ChemInform ◽  
1989 ◽  
Vol 20 (15) ◽  
Author(s):  
K. W. II HILLIG ◽  
E. R. BITTNER ◽  
R. L. KUCZKOWSKI ◽  
W. LEWIS-BEVAN ◽  
M. C. L. GERRY
Keyword(s):  
Coupling Tensor ◽  
Quadrupole Coupling ◽  
Nuclear Quadrupole

ab initio Calculation of 33S Quadrupole Coupling Constants. Reanalysis of the 33S Hyperfine Structure in the Rotational Spectrum of Thiirane

1997 ◽  
Vol 52 (4) ◽  
pp. 297-305 ◽  
Author(s):  
Barbara Kirchner ◽  
Hanspeter Huber ◽  
Gerold Steinebrunner ◽  
Helmut Dreizler ◽  
Jens-Uwe Grabow ◽  
...  
Keyword(s):  
Ab Initio Calculation ◽  
Experimental Information ◽  
Coupling Constants ◽  
Basis Sets ◽  
Rotational Spectrum ◽  
Rotational Spectra ◽  
Coupling Tensor ◽  
Quadrupole Coupling ◽  
Local Quality ◽  
Nuclear Quadrupole

Abstract We present quantum chemical calculations on the MP4(SDQ) level with basis sets of high local quality to determine the nuclear quadrupole coupling tensor of 33S in a series of molecules, which were investigated up to now by microwave spectroscopy. The analysis of the nuclear quadrupole coupling in the rotational spectra provided experimental information on the tensors. As an example for such an analysis, improved values for thiirane, C2H433S, are given: χaa = - 32.9425(78) MHz, χbb = -16.402(14) MHz, χcc = 49.345(14) MHz.

Nuclear Quadrupole Hyperfine Structure and Methyl Torsional Fine Structure in the Rotational Spectra of N,N-Dimethylformamide and N-Nitrosodimethylamine

1993 ◽  
Vol 48 (4) ◽  
pp. 570-576 ◽  
Author(s):  
N. Heineking ◽  
H. Dreizler
Keyword(s):  
Fourier Transform ◽  
Fine Structure ◽  
Hyperfine Structure ◽  
Internal Rotation ◽  
Amino Nitrogen ◽  
Coupling Constants ◽  
Methyl Group ◽  
Rotational Spectra ◽  
Quadrupole Coupling ◽  
Nuclear Quadrupole

Abstract The complicated nuclear quadrupole hyperfine structure and methyl torsional fine structure in the rotational spectra of N,N-dimethylformamide and N-nitrosodimethylamine have been studied using microwave Fourier transform spectroscopy. It has been found that both molecules are rather similar in terms of their parameters of methyl group internal rotation as well as in terms of their amino nitrogen quadrupole coupling constants.

14N Nuclear Quadrupole Coupling and Methyl Internal Rotation of 2-, 4-, and 5-Methyl Oxazole

1986 ◽  
Vol 41 (4) ◽  
pp. 623-636 ◽  
Author(s):  
Eckhard Fliege ◽  
Helmut Dreizler ◽  
Michael Meyer ◽  
Khalid Iqbal ◽  
John Sheridan
Keyword(s):  
Internal Rotation ◽  
Fourth Order ◽  
Centrifugal Distortion ◽  
Quadrupole Coupling ◽  
Nuclear Quadrupole ◽  
Common Parent

In the following we give an outline of 14N nuclear quadrupole, internal axis method (IAM) methyl internal rotation, and fourth order centrifugal distortion - only needed for extrapolating transition frequencies to higher J values - analyses performed for 2-, 4-, and 5-methyl oxazole.The results are discussed, the three methyl oxazoles being compared with one another and with their common parent, oxazole.

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