Rotational spectrum, molecular structure, and201Hg nuclear quadrupole coupling constants of HCNHg

1992 ◽  
Vol 97 (11) ◽  
pp. 7873-7880 ◽  
Author(s):  
J. A. Shea ◽  
E. J. Campbell
Keyword(s):  
Molecular Structure ◽  
Coupling Constants ◽  
Rotational Spectrum ◽  
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 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.

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.

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.

Boron and Nitrogen Hyperfine Structure in the Rotational Spectrum of Aminodifluoroborane

1991 ◽  
Vol 46 (10) ◽  
pp. 909-913
Author(s):  
◽  
Helmut Dreizler
Keyword(s):  
Hyperfine Structure ◽  
Coupling Constants ◽  
Rotational Spectrum ◽  
Centrifugal Distortion ◽  
Rotational Spectra ◽  
Quadrupole Coupling ◽  
Nuclear Quadrupole ◽  
Centrifugal Distortion Constants

AbstractThe boron and nitrogen hyperfine structure in the rotational spectra of aminodifluoroborane has been investigated and the quadrupole coupling constants of 11B and nitrogen have been determined. We get the following results for the nuclear quadrupole coupling constants: Χaa(11B) = - 1.971 (6) MHz, Xbb(11B) = 0.500(11) MHz, Xcc(11B) - 2.471 (11) MHz, and Xaa(14N) = 0.890 (5) MHz, Xbb(14N) = 2.303 (7) MHz, Xcc(14N) = - 3.193 (8) MHz. Additionally we determined rotational and centrifugal distortion constants according to Watson's A reduction.

The Hyperfine Structure in the Rotational Spectrum of CuCl

1977 ◽  
Vol 32 (12) ◽  
pp. 1477-1479
Author(s):  
E. Tiemann ◽  
J. Hoeft
Keyword(s):  
Hyperfine Structure ◽  
Vibrational State ◽  
Rotational Transition ◽  
Coupling Constants ◽  
Rotational Spectrum ◽  
Ground Vibrational State ◽  
Quadrupole Coupling ◽  
Magnetic Spin ◽  
Nuclear Quadrupole ◽  
Rotational Coupling

Abstract The hyperfine structure of the rotational transition J = 1 ← 0 of 63Cu35Cl in the ground vibrational state was observed. The analysis resulted in the following nuclear quadrupole coupling constants: 63Cu: e q0 Q= +16.08(20) MHz; 35Cl: eq0 Q = - 32.25(15) MHz. The influence of the small magnetic spin rotational coupling of both nuclei on the hyperfine spectrum is discussed.

Synthesis and Microwave Spectroscopic Study of Fluorinated Methyl Isocyanides

1994 ◽  
Vol 49 (6) ◽  
pp. 703-708 ◽  
Author(s):  
M. Krüger ◽  
H. Dreizler ◽  
D. Lentz ◽  
D. Preugschat
Keyword(s):  
Stark Effect ◽  
Continuous Wave ◽  
Spectroscopic Studies ◽  
Coupling Constants ◽  
Rotational Spectrum ◽  
Flash Vacuum Pyrolysis ◽  
Microwave Spectrometer ◽  
Vacuum Pyrolysis ◽  
Quadrupole Coupling ◽  
Nuclear Quadrupole

Abstract Difluoromethyl isocyanide has been generated by flash vacuum pyrolysis of pentacarbonyl (di-fluoromethyl isocyanide) chromium at 240 °C. Spectroscopic studies revealed the presence of several major and minor impurities like HCN, HCC -CN and HCC -NC . The pyrolysis of pentacarbonyl (fluoromethyl isocyanide)chromium did not lead to the observation of free fluoromethyl isocyanide. The rotational spectrum of difluoromethyl isocyanide has been recorded with a conventional continuous wave Stark spectrometer and a molecular beam Fourier transform microwave spectrometer resulting in A = 10.110841 (42), B = 4.550914 (19), C = 3.343550 (19) GHz, D′J = 0.41(13), D′JK = 26.72(36), D′J = - 21.3 (18) kHz. The dipole moment components μa = 1.46(1), μc= 1.83 (1) and μtotal 2.34 (1) D were obtained from the second order Stark effect. The 14N nuclear quadrupole hyperfine structure in the rotational spectrum of CHF2-NC has been resolved and the 14N nuclear quadrupole coupling constants xaa = 599.0 (10), xbb = −406.5 (14), xcc= −192.6 (14) kHz have been obtained.

Reanalysis of the Nuclear Quadrupole Coupling in the Rotational Spectrum of N-Methylpyrrole

1994 ◽  
Vol 49 (11) ◽  
pp. 1063-1066
Author(s):  
S. R. Huber ◽  
A. Bauder
Keyword(s):  
Fourier Transform ◽  
Coupling Constants ◽  
Rotational Spectrum ◽  
Centrifugal Distortion ◽  
Least Squares Fit ◽  
Quadrupole Coupling ◽  
Nuclear Quadrupole ◽  
Centrifugal Distortion Constants ◽  
Pulsed Nozzle ◽  
Measured Transition

Abstract The rotational spectrum of N-methylpyrrole has been measured with pulsed nozzle Fourier transform microwave spectrometers between 6 and 38 GHz. The quadrupole hyperfine structure due to 14N has been reanalyzed in the A (m = 0) state o f the methyl internal rotation. Improved rotational constants, centrifugal distortion constants, and quadrupole coupling constants have been simultaneously determined from the measured transition frequencies in an iterative least-squares fit.

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