scholarly journals EXPLAINER: EFFECTS OF NUCLEAR QUADRUPOLE COUPLING TENSOR MAGNITUDE, ASYMMETRY, AND ORIENTATION ON THE APPEARANCE OF ROTATIONAL HYPERFINE STRUCTURE

2021 ◽  
Author(s):  
S. Cooke
Keyword(s):  
Hyperfine Structure ◽  
Coupling Tensor ◽  
Quadrupole Coupling ◽  
Nuclear Quadrupole

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.

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.

THE MICROWAVE SPECTRUM OF DICHLOROFLUOROMETHANE

1964 ◽  
Vol 42 (4) ◽  
pp. 720-730 ◽  
Author(s):  
David B. McLay
Keyword(s):  
Bond Length ◽  
Hyperfine Structure ◽  
Charge Distribution ◽  
Tensor Component ◽  
Microwave Spectrum ◽  
Frequency Range ◽  
Rotational Constants ◽  
Coupling Tensor ◽  
Quadrupole Coupling ◽  
Out Of Plane

The microwave spectra of C12HFCl235 and C12HFCl35Cl37 have been measured in the frequency range from 10 to 35 Gc/s. Enough R branch and Q branch rotational transitions have been measured in each case to determine the rotational constants A = 6988.73 ± 0.02, B = 3307.25 ± 0.05, and C = 2350.03 ± 0.02 Mc/s for CHFCl235 and A = 6943.37 ± 0.05, B = 3219.58 ± 0.04, and C = 2300.57 ± 0.06 Mc/s for CHFCl35Cl37. The out-of-plane coordinate of Cl35 in the symmetric species has been deduced to be 1.4350 ± 0.0006 Å and, if the C–Cl bond length is assumed to be 1.750 ± 0.005 Å, then the Cl–C–Cl angle can be calculated to be 112.2 ± 0.5°. The analysis of the hyperfine structure has led to the values eQVaa = −41.0 ± 0.2 Mc/s, eQVbb = +11.37 ± 0.13 Mc/s, and eQVcc = 29.62 ± 0.13 Mc/s for the diagonal components of the quadrupole coupling tensor along the principal inertial axes. The results are consistent with a cylindrically symmetrical charge distribution around the C–Cl bond and a quadrupole coupling tensor component of eQVzz = −76.75 Mc/s in the direction of the bond. The only impurity in the sample, obtained from the Matheson Company, seems to have been a trace of HCCF for which the J = 0 → 1 transition has been measured.

The 33S Nuclear Quadrupole Coupling in the Rotational Spectrum of 2,2–Dimethylthiirane

1996 ◽  
Vol 51 (10-11) ◽  
pp. 1110-1112 ◽  
Author(s):  
Jens-Uwe Grabow ◽  
Masao Onda ◽  
Helmut Dreizler
Keyword(s):  
Hyperfine Structure ◽  
Coupling Constants ◽  
Rotational Spectrum ◽  
Rotational Constants ◽  
Its Analysis ◽  
Quadrupole Coupling ◽  
Nuclear Quadrupole

Abstract The rotational spectrum of 33S 2,2-dimethylthiirane with its 33S nuclear quadrupole coupling hyperfine structure in the range 8.9 to 20.0 GHz and its analysis is reported. The rotational constants are A = 5507.4663(3), B = 3440.58395(18), and C = 2978.5723(3) MHz. The 33 S quadrupole coupling constants are χaa = -22.6390(23), χbb = 47.1830(50), and χcc = -24.5440(50) MHz.

14N Quadrupole Coupling in the Rotational Spectrum of Nitrosobenzene

1988 ◽  
Vol 43 (4) ◽  
pp. 385-387
Author(s):  
Ch. Keussen ◽  
U. Andresen ◽  
H. Dreizler
Keyword(s):  
Fourier Transform ◽  
Hyperfine Structure ◽  
Rotational Spectrum ◽  
Quadrupole Coupling ◽  
Nuclear Quadrupole

Abstract As the technique of microwave Fourier transform (MWFT) spectroscopy was improved in the recent years we give a reinvestigation of the 14N nuclear quadrupole hyperfine structure of nitroso­ benzene.

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

Nuclear Quadrupole Hyperfine Structure in the Rotational Spectrum of 3-Chloropyridine. An Application of Microwave-Microwave Double Resonance Fourier Transform Spectroscopy

1988 ◽  
Vol 43 (7) ◽  
pp. 657-661 ◽  
Author(s):  
N. Heineking ◽  
H. Dreizler
Keyword(s):  
Fourier Transform ◽  
Hyperfine Structure ◽  
Double Resonance ◽  
Fourier Transform Spectroscopy ◽  
Coupling Constants ◽  
Rotational Spectrum ◽  
Rotational Constants ◽  
Modulation Technique ◽  
Quadrupole Coupling ◽  
Nuclear Quadrupole

AbstractWe redetermined the rotational and the chlorine-35 and nitrogen-14 nuclear quadrupole coupling constants of 3-chloropyridine. The values are A = 5839.5330(12) MHz, B = 1604.1875(6) MHz, and C = 1258.3121 (5) MHz for the rotational constants, and χaa(Cl) = - 72.255(19) MHz, χbb(Cl) = + 38.500(13) MHz, χcc(Cl) = + 33.755(23) MHz and χaa(N) = - 0.009(13) MHz, χbb(N) = - 3.473(10) MHz, χCC(N) = + 3.482(16) MHz for the chlorine-35 and nitrogen-14 nuclear quadrupole coupling constants, respectively.Application of double resonance modulation technique is shown to greatly simplify the assign­ment of hyperfine structure components even of weak rotational transitions.

scholarly journals Nuclear Quadrupole Coupling in the Rotational Spectrum of Thionyl Chloride

1992 ◽  
Vol 47 (11) ◽  
pp. 1150-1152 ◽  
Author(s):  
Ilona Merke ◽  
Helmut Dreizler
Keyword(s):  
Fourier Transform ◽  
Hyperfine Structure ◽  
Thionyl Chloride ◽  
Molecular Beam ◽  
Fourier Transform Spectrometer ◽  
Rotational Spectrum ◽  
Quadrupole Coupling ◽  
Nuclear Quadrupole

Abstract We report on the analysis of the chlorine quadrupole hyperfine structure of thionyl chloride, S035Cl37 Cl, observed with a molecular beam microwave Fourier transform spectrometer

Rotational Spectrum of Aminoborane: Centrifugal Distortion Constants and Boron and Nitrogen Hyperfine Structure

1991 ◽  
Vol 46 (9) ◽  
pp. 770-776 ◽  
Author(s):  
Kirsten Vormann ◽  
Helmut Dreizler ◽  
Jens Doose ◽  
Antonio Guarnieri
Keyword(s):  
Hyperfine Structure ◽  
Spin Rotation ◽  
Coupling Constants ◽  
Rotational Spectrum ◽  
Centrifugal Distortion ◽  
Rotational Spectra ◽  
Quadrupole Coupling ◽  
Wave Region ◽  
Nuclear Quadrupole ◽  
Centrifugal Distortion Constants

AbstractThe boron and nitrogen hyperfine structure in the rotational spectra of two aminoborane isotopomers, 11 BH2NH2 and 10BH2NH2, has been investigated and the quadrupole coupling constants of boron 10B, 11B and nitrogen 14N have been determined. We get the following results for the nuclear quadrupole coupling constants: χaa(11B) = -1.684 (14) MHz, χbb(11B) = -2.212 (11) MHz, χcc(11B) = 3.896(11) MHz, χaa(10B) = -3.481 (11) MHz, χbb(10B) = -4.623 (14) MHz, χCC(10B) = 8.104 (14) MHz and xaa(14N) = 0.095 (9) MHz, χbb(14N) = 2.091 (8) MHz, χcf4 (14N)=-2.186 (8) MHz. These nitrogen quadrupole coupling constants are those of the 11BH2 NH2 isotopomer. Additionally we were able to determine two out of the three spin rotation coupling constants caa, cbb, and ccc of boron, caa(11 B = 55.2 (26) kHz, cbb(11B) = 6.62 (36) kHz, caa (10B) = 15.26 (69) kHz and cbb(10B) = 4.94 (70) kHz. The spin rotation coupling constants ccc had to be fixed to zero in both cases. Furthermore we measured the rotational spectra in the mm-wave region to determine all quartic and several sextic centrifugal distortion constants according to Watson's A and S reduction

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.

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