The rotational a-type spectrum of [13C]diazirine, H2CN2

The rotational spectrum of 13C isotopically enriched diazirine, H213C14N2, has been recorded in the region between 12 and 250 GHz. From an analysis of the nuclear hyperfine structure of the rotational transitions, quadrupole coupling and spin-rotational constants have been determined. Using Watson's A-reduced Hamiltonian, the rotational constants, the quartic and some sextic centrifugal distortion constants have been obtained for the ground vibrational state. The rotational constants obtained are[Formula: see text]The nuclear quadrupole coupling constants and the spin-rotation constants are[Formula: see text]for the two identical quadrupolc nitrogen nuclei. The accuracy of the constants obtained allows us to evaluate the line positions and hyperfine structure of any rotational transition in the microwave and millimetre wave region.

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

Zeitschrift für Naturforschung A ◽

10.1515/zna-1991-0905 ◽

1991 ◽

Vol 46 (9) ◽

pp. 770-776 ◽

Cited By ~ 1

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

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Das Rotationsspektrum des IBr / Rotational Spectrum of IBr

Zeitschrift für Naturforschung A ◽

10.1515/zna-1975-0811 ◽

1975 ◽

Vol 30 (8) ◽

pp. 986-991 ◽

Cited By ~ 19

Author(s):

E. Tiemann ◽

Th. Möller

Keyword(s):

Hyperfine Structure ◽

Rotational Transition ◽

Microwave Spectrum ◽

Coupling Constants ◽

Rotational Spectrum ◽

Vibrational States ◽

Hyperfine Parameters ◽

Rotational Constants ◽

Quadrupole Coupling

AbstractThe microwave spectrum of IBr was measured in the low rotational transition J = 3 ← 2 in order to resolve the hyperfine structure as completely as possible. Rotational constants and quadrupole coupling constants were derived for both nuclei. The observation of the rotational spectrum in different vibrational states yields the vibrational dependence of the rotational constants as well as of the hyperfine parameters. The Dunham potential coefficients a0, a1, a2, a3 are given.

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Microwave and millimetre wave spectra of diazirine-d2: Rotational and hyperfine structure analysis and molecular structure

Canadian Journal of Physics ◽

10.1139/p85-191 ◽

1985 ◽

Vol 63 (9) ◽

pp. 1173-1183 ◽

Cited By ~ 23

Author(s):

Udai P. Verma ◽

Klaus Möller ◽

Jürgen Vogt ◽

Manfred Winnewisser ◽

Jørn Johs. Christiansen

Keyword(s):

Hyperfine Structure ◽

Coupling Constants ◽

Rotational Spectrum ◽

Centrifugal Distortion ◽

Millimetre Wave ◽

Quadrupole Coupling ◽

Internuclear Distances ◽

Nuclear Quadrupole ◽

Centrifugal Distortion Constants ◽

Line Positions

The rotational spectrum of diazirine-d2, [Formula: see text], has been recorded in the ranges 8–40 and 100–400 GHz. The hyperfine structure of the measured rotational lines has been analyzed. The analysis required the treatment of two pairs of equivalent nuclei, which is discussed in detail. The deduced deuterium nuclear-quadrupole coupling constants are[Formula: see text]The quadrupole coupling constants of the nitrogen nuclei[Formula: see text]are taken from the parent species, and the spin-rotation coupling constants are[Formula: see text]The rotational and centrifugal distortion constants have been obtained for the ground vibrational state from the analysis of the unperturbed line positions. The complete rs structure of diazirine has been determined using the rotational constants of all available isotopomers of diazirine. The internuclear distances are rs(C—N) = 148.13(24) pm, rs(C—H) = 108.03(29) pm, and rs(N—N) = 122.80(25) pm, and the bond angles are [Formula: see text] and [Formula: see text], with the HCH plane perpendicular to the NCN plane.

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33S Nuclear Hyperfine Structure in the Rotational Spectrum of Thiazole

Zeitschrift für Naturforschung A ◽

10.1515/zna-1993-1211 ◽

1993 ◽

Vol 48 (12) ◽

pp. 1219-1222 ◽

Cited By ~ 18

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

Zeitschrift für Naturforschung A ◽

10.1515/zna-1996-10-1110 ◽

1996 ◽

Vol 51 (10-11) ◽

pp. 1110-1112 ◽

Cited By ~ 2

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.

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

Zeitschrift für Naturforschung A ◽

10.1515/zna-1988-0708 ◽

1988 ◽

Vol 43 (7) ◽

pp. 657-661 ◽

Cited By ~ 9

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.

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Boron and Nitrogen Hyperfine Structure in the Rotational Spectrum of Aminodifluoroborane

Zeitschrift für Naturforschung A ◽

10.1515/zna-1991-1011 ◽

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.

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The Hyperfine Structure in the Rotational Spectrum of CuCl

Zeitschrift für Naturforschung A ◽

10.1515/zna-1977-1221 ◽

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.

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Hyperfine Structure in the Rotational Spectrum of CuBr

Zeitschrift für Naturforschung A ◽

10.1515/zna-1979-1106 ◽

1979 ◽

Vol 34 (11) ◽

pp. 1290-1295 ◽

Cited By ~ 10

Author(s):

J. Hoeft ◽

K. P. R. Nair

Keyword(s):

High Temperature ◽

Hyperfine Structure ◽

Rotational Transition ◽

Frequency Region ◽

Coupling Constants ◽

Wave Guide ◽

Rotational Spectrum ◽

Heated Zone ◽

Microwave Spectrometer ◽

Quadrupole Coupling

The hyperfine structure of the J = 2 ← 1 rotational transition of CuBr has been measured in the 12 GHz frequency region using a Stark modulated high temperature microwave spectrometer. The molecules were produced by the reaction of Br2 vapour with copper in the heated zone of a splitted wave guide at a temperature of 800 °C. The analysis of the hyperfine structure yielded the following quadrupole coupling constants

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The 33S Nuclear Hyperfine Structure in the Rotational Spectrum of Isothiazole

Zeitschrift für Naturforschung A ◽

10.1515/zna-1994-1111 ◽

1994 ◽

Vol 49 (11) ◽

pp. 1059-1062

Author(s):

J. Gripp ◽

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 in the rotational spectrum of isothiazole 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 = 8275.51880(80) MHz, B = 5767.06181 (40) MHz, and C = 3396.85702(36) MHz, quartic centrifugal distortion constants, and the quadrupole coupling constants χaa (33S) = 8.7015 (57) MHz, χbb(33S) = -32.9696(60) MHz, χaa(14N) = 1.0732(47) MHz and χbb(14N) = -2.4753(46) MHz.

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