83Kr nuclear quadrupole coupling, microwave spectrum, and structure of KrHCN

Article abstract of DOI:10.1063/1.445171

Rotational spectra have been observed for ten isotopic species of KrHCN using the pulsed Fabry-Perot Fourier transorm technique.The 83Kr nuclear quadrupole coupling constant has been measured in 83KrHC14N, 83KrHC15N, and 83KrDC14N.Values of the rotational constants B₀, centrifugal distortion constants D_J and H, 14N and 83Kr nuclear quadrupole coupling constants are:

. ^aCalculated using D_J=47.401 kHz, H=69.4 Hz. ^bCalculated using D_J=40.350 kHz, H=54.3 Hz. ^cCalculated using D_J=26.973 kHz, H=27.2 Hz.These constants are consistent with a linear or near-linear configuration, with a Kr-HCN center-off-mass separation of 4.54 Angstroem, and the Kr atom located 27 deg off the HCN figure axis on average, where the vertex of this angle is placed on the HCN center-off-mass.KrHCN exhibits unusually large centrifugal distortion in comparison to previously studied Kr-hydrogen halide systems.We find that the measured 83Kr nuclear quadrupole coupling constants in 83KrHC14N and 83KrDC14N are consistent with a long range polarization model previously used to explain values of χ^Kr in KrH(D)Cl and KrH(D)F.

Full text of DOI:10.1063/1.445171

8

3Kr nuclear quadrupole coupling, microwave spectrum, and structure of KrHCN  

E. J. Campbell, L. W. Buxton, and A. C. Legon  

Citation: The Journal of Chemical Physics 78, 3483 (1983); doi: 10.1063/1.445171  

View online: http://dx.doi.org/10.1063/1.445171  

View Table of Contents: http://scitation.aip.org/content/aip/journal/jcp/78/6?ver=pdfcov  

Published by the AIP Publishing  

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Full text of DOI:10.1063/1.445171

8
3Kr nuclear quadrupole coupling, microwave spectrum, and structure of KrHCN
E. J. Campbell, L. W. Buxton, and A. C. Legon
Citation: The Journal of Chemical Physics 78, 3483 (1983); doi: 10.1063/1.445171
View online: http://dx.doi.org/10.1063/1.445171
View Table of Contents: http://scitation.aip.org/content/aip/journal/jcp/78/6?ver=pdfcov
Published by the AIP Publishing
Articles you may be interested in
Theoretical study of the He–HCN, Ne–HCN, Ar–HCN, and Kr–HCN complexes
J. Chem. Phys. 114, 851 (2001); 10.1063/1.1332117
Excited ν3 vibrational state of the Ar–HCN and Kr–HCN dimers
J. Chem. Phys. 103, 493 (1995); 10.1063/1.470134
Nuclear quadrupole coupling effects in the microwave spectrum of dichlorodifluoromethane
J. Chem. Phys. 66, 330 (1977); 10.1063/1.433629
Microwave Spectrum, Molecular Structure, and Bromine Nuclear Quadrupole Coupling Tensor of
Bromodiborane
J. Chem. Phys. 53, 1851 (1970); 10.1063/1.1674261
Microwave Spectrum, Structure, Dipole Moment, and Nuclear Quadrupole Effects in Vinyl Chloride
J. Chem. Phys. 32, 205 (1960); 10.1063/1.1700901
This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP: 147.143.2.5
On: Mon, 22 Dec 2014 08:26:59

This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP: 147.143.2.5
On: Mon, 22 Dec 2014 08:26:59

This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP: 147.143.2.5
On: Mon, 22 Dec 2014 08:26:59

This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP: 147.143.2.5
On: Mon, 22 Dec 2014 08:26:59

This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP: 147.143.2.5
On: Mon, 22 Dec 2014 08:26:59

This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP: 147.143.2.5
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This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP: 147.143.2.5
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This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP: 147.143.2.5
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