scholarly journals Ground State Centrifugal Distortion Constants of Vinyl Isocyanide, CH2-CH-NC, from the Microwave and Millimeter Wave Rotational Spectra

1975 ◽  
Vol 30 (5) ◽  
pp. 672-689 ◽  
Author(s):  
Koichi Yamada ◽  
Manfred Winnewisser
Keyword(s):  
Ground State ◽  
Hyperfine Splitting ◽  
Vibrational State ◽  
Frequency Region ◽  
Rotational Spectrum ◽  
Centrifugal Distortion ◽  
Ground Vibrational State ◽  
Rotational Spectra ◽  
Measured Absorption ◽  
Centrifugal Distortion Constants

Abstract The pure rotational spectrum of vinyl isocyanide in the ground vibrational state has been as-signed in the frequency region from 8 GHz to 180 GHz. The measured absorption lines encompass 157 a-type transitions from the qRK , qQ1, qQ2,qQ3, qQ4 and qQ5 branches and 48 b-type transitions from the rP0 , rP1, rP2, rP3 , rP4 , rP5, rQ0 , and rQ1 branches for values of J up to 54. The rotational constants have been refined and all quartic and sextic centrifugal distortion constants have been determined using Watson's reduced Hamiltonian. No quadrupole hyperfine splitting was observed.

Ground State Centrifugal Distortion Constants of Trans-Acrolein, CH2 = CH — CHO from the Microwave and Millimeter Wave Rotational Spectra 1,2

1975 ◽  
Vol 30 (8) ◽  
pp. 1001-1014 ◽  
Author(s):  
Manfred Winnewisser ◽  
Gisbert Winnewisser ◽  
T. Honda ◽  
E. Hirota
Keyword(s):  
Ground State ◽  
Vibrational State ◽  
Line Search ◽  
Frequency Region ◽  
Rotational Spectrum ◽  
Centrifugal Distortion ◽  
Rotational Spectra ◽  
Measured Absorption ◽  
Centrifugal Distortion Constants ◽  
Line Positions

Abstract The pure rotational spectrum of trans-acrolein in the ground vibrational state has been assigned in the frequency region from 8 GHz to 180 GHz. The measured absorption lines encompass a-type transitions from the qRK, qQ1, qQ2 branches and 6-type transitions from the rP0, rP1, rP2, rR0 brandies for values of J up to 23. The rotational constants have been refined and all quartic and sextic centrifugal distortion constants have been determined using Watson's reduced Hamiltonian. This information has been used to predict line positions of astrophysical interest to warrant the interstellar line search for trans-acrolein.

The Rotational Spectrum of Ketene Isotopomers with 18O and 13C Revisited

2003 ◽  
Vol 58 (5-6) ◽  
pp. 275-279 ◽  
Author(s):  
A. Guarnieri ◽  
A. Huckaufa
Keyword(s):  
Vibrational State ◽  
Frequency Region ◽  
Rotational Spectrum ◽  
Centrifugal Distortion ◽  
Rotational Constants ◽  
Ground Vibrational State ◽  
Rotational Spectra ◽  
Main Species ◽  
Centrifugal Distortion Constants

The pure rotational spectra of [18O]ketene, H2C=C18O, [1-13C]ketene, H2C=13CO, and [2-13C]ketene, H213C=CO, have been revisited in the frequency region 200 - 350 GHz in the ground vibrational state.From more than 100 R-branch transitions for each isotopomer a set of rotational and centrifugal distortion constants could be derived using the Watson S-reduction formalism. The values obtained for the rotational constants B and C agree very well with results of former investigations. The agreement is worse with respect to the A constants, but our newly determined A values agree well with the corresponding values of the main species and the 17O isotopomer.

Sub-millimeter Wave Spectra of Cyanoacetylene and Revised Ground State Constants

1995 ◽  
Vol 50 (12) ◽  
pp. 1179-1181 ◽  
Author(s):  
K. M. T. Yamada ◽  
A. Moravec ◽  
G. Winnewisser
Keyword(s):  
Millimeter Wave ◽  
Ground State ◽  
Vibrational State ◽  
Frequency Region ◽  
Wave Spectra ◽  
Centrifugal Distortion ◽  
Ground Vibrational State ◽  
Wave Data ◽  
Centrifugal Distortion Constants ◽  
Wave Spectrometer

Abstract Sixteen new rotational transitions of cyanoacetylene in the ground vibrational state have been measured in the frequency region from 570 GHz to 710 GHz by the Cologne sub-millimeter wave spectrometer. The observed transition frequencies were analyzed together with unpublished millimeter wave data of our group and with the data available in the literature. Precise rota­ tional constant and the quartic and sextic centrifugal distortion constants have been determined; B = 4549.058224(37) MHz, D = 0.544110(19) kHz, and H = 0.0345(21) mHz.

scholarly journals The Millimeterwave Spectrum of Four Rare Ketene Isotopomers

2005 ◽  
Vol 60 (8-9) ◽  
pp. 619-628 ◽  
Author(s):  
Antonio Guarnieri
Keyword(s):  
Vibrational State ◽  
Frequency Region ◽  
Spectral Lines ◽  
Centrifugal Distortion ◽  
Ground Vibrational State ◽  
Rotational Spectra ◽  
Centrifugal Distortion Constants ◽  
Mass Dependent

The pure rotational spectra in the ground vibrational state of (1,2-13C)ketene, H213C=13CO, (D2,1-13C)ketene, D2C=13CO, (D2,2-13C)ketene, D213C=CO, and (D2,18O)ketene, D2C=C18O, have been observed in the frequency region 200 - 350 GHz. All the spectral lines have been measured in natural abundances with a source modulated millimeterwave spectrometer.From the measured R-branch transitions a set of rotational and centrifugal distortion constants for each isotopomer could be derived, using the Watson S-reduction formalism. Further, the rotational spectra of the two isotopomers (4,5-D)ketene, D2CCO, and (4-D)ketene, DHCCO, which were already measured several years ago, have been extended to higher J-values and higher frequencies, as it is the case for all investigated isotopomers of this work. As a result of these studies a calculation of a mass-dependent structure will be the topic of a next paper.

The Rotational Spectrum of Monothioformic Acid. I. cis-and trans-HC(:O)SH1,2

1976 ◽  
Vol 31 (5) ◽  
pp. 422-437
Author(s):  
William H. Hocking ◽  
Gisbert Winnewisser
Keyword(s):  
Frequency Region ◽  
Absorption Lines ◽  
Rotational Spectrum ◽  
Centrifugal Distortion ◽  
Astrophysical Interest ◽  
Rotational Spectra ◽  
Measured Line ◽  
Centrifugal Distortion Constants ◽  
Cis And Trans ◽  
Line Positions

Abstract The rotational spectra of the two abundant isomers of monothioformic acid, cis- and trans- HC(:O)SH, have been assigned in the frequency region 8 -250 GHz. Over 90 a-type transitions and over 60 b-type transitions have been measured for each rotamer. The a-type transitions belong to the qRK , qQ1, qQ2, qQ3 and qQ4 branches and the b-type absorption lines encompass the Ka = 1 - 0, 2 - 1, 3 - 2, 4 - 3 and 5 - 4 rotational sub-bands. The rotational constants and all quartic and sextic centrifugal distortion constants have been determined for each rotamer using Watson's reduced Hamiltonian. In addition to the measured line positions the frequencies of some selected low-J transitions, not observed in this work but of potential astrophysical interest, have been listed as an aid in the interstellar search for monothioformic acid.

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

Microwave and Millimeterwave Spectrum of Monofluoracetonitrile-15N (CH2FC15N). A Contribution to Molecular Structure

1987 ◽  
Vol 42 (11) ◽  
pp. 1275-1278
Author(s):  
H. Zerbe ◽  
A. Guarnieri
Keyword(s):  
Molecular Structure ◽  
Vibrational State ◽  
Centrifugal Distortion ◽  
Rotational Constants ◽  
Ground Vibrational State ◽  
Centrifugal Distortion Constants

The microwave and millimeterwave spectrum of 15N-fluoracetonitrile(CH2FC15N) in the ground vibrational state are investigated in the region between 8 and 150 GHz. The measured transitions are fitted to a Hamiltonian with three rotational constants, five quartic and seven sextic centrifugal distortion constants in the symmetric top limit of van Eijck-Typke and in the s-reduction of Watson. The rotational constants are used to improve the calculated r0 -restructure of the fluoracetonitrile molecule.

scholarly journals Microwave Spectrum, Structure and Rotation-Vibration Interaction of Deutero-Fulminic Acid, DCNO

1969 ◽  
Vol 24 (12) ◽  
pp. 1973-1979
Author(s):  
Hans Karl Bodenseh ◽  
Manfred Winnewisser
Keyword(s):  
Vibrational State ◽  
Microwave Spectrum ◽  
Frequency Region ◽  
Centrifugal Distortion ◽  
Rotational Constants ◽  
Moments Of Inertia ◽  
Ground Vibrational State ◽  
Bending Modes ◽  
O 10 ◽  
Spectrum Structure

The microwave spectrum of the deuterated form of fulminic acid (DCNO) has been investigated in the frequency region from 9 to 42 GHz. For the ground vibrational state of DCNO the following rotational constants were obtained: B0(D12C14N16O) =10 292.50 MHz,B0(D13C14N18O) =10 011.66 MHz,B0(D12C14N18O) = 9 758.87 MHz. The corresponding moments of inertia yield a combined rs and r0 structure: rDC = 1.027 ±0.001 Å, rCN = 1·168 ±0.001 Å, rNO = 1.199 ± 0.001 Å. For the two degenerate bending modes ν4 and ν5 the l-type doublets of the transition J = 1 - 2 and the two corresponding series of l-type doubling transitions have been observed. The analysis of the two l-type doubling series revealed that P4 and P6 centrifugal distortion contributions are sufficient to account for the spectrum. The doubling constants given in MHz are q4 = 17.9103-(0.6467 · 10-4)J(J + 1) +(0.188 · 10-8) [J(J + 1)]2, q5 = 38.0907-(0.3061 · 10-3)J(J + 1) + (0.314 · 10-8)[J(J + 1) ]2. A third series of l-type doubling transitions arising from the II-level of the ν5=3 vibrational state has been found and analysed, yielding: q(0)3×5 =29.2748 ± 1.8 · 10-4 MHz; EΦ-EII=Δ ≅ 41 cm-1.

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.

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