DOI: 10.1063/1.445419. Microwave structure measurements on the cyclopropane

Microwave structure measurements on the cyclopropane–HCN complex

10.1063/1.445419

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Microwave rotational transitions for the cyclopropane-HCN complex were observed using the Flygare–Balle pulsed beam Fourier transform spectrometer. The 111→212, 101→202, 110→211, 212→313, 202→303, 211→312, 313→414, 303→404, 312→413, 414→515, 404→505, and 413→514 transitions were observed. The rotational constants obtained are A=20 243±1344 MHz, B=1384.209±0.001 MHz, and C=1327.901±0.001 MHz. The distortion constants are DJ=1.53±0.03 kHz and DJK=50.9±1.1 kHz. The nitrogen quadrupole coupling strength is eQqaa=−4.38±0.01 MHz with eQqbb−eQqcc= 0.002±0.003 MHz. The cyclopropane carbon atoms and HCN lie in a plane. The most reasonable bond distance is obtained with the HCN hydrogen atom bonding to the midpoint between two of the cyclopropane carbon atoms. The separation of the centers of mass of HCN and cyclopropane is Rcm= 4.472±0.002 Å. The HCN carbon atom is RCC–C=3.476±0.002 Å from the cyclopropane carbon–carbon bond. The stretching force constant is ks=0.062 mdyn/Å and the approximate bonding energy is 860 cm−1.

Bibliography

Kukolich, S. G. (1983). Microwave structure measurements on the cyclopropaneâHCN complex. The Journal of Chemical Physics, 78(8), 4832â4835.

Authors 1

S. G. Kukolich (first)

References 19 Referenced 31

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Dates

Type	When
Created	22 years, 5 months ago (Feb. 28, 2003, 11:47 a.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 7:59 p.m.)
Indexed	1 year, 6 months ago (Feb. 10, 2024, 5:30 p.m.)
Issued	42 years, 4 months ago (April 15, 1983)
Published	42 years, 4 months ago (April 15, 1983)
Published Print	42 years, 4 months ago (April 15, 1983)

Funders 0

None

BibTeX

@article{Kukolich_1983, title={Microwave structure measurements on the cyclopropane–HCN complex}, volume={78}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.445419}, DOI={10.1063/1.445419}, number={8}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Kukolich, S. G.}, year={1983}, month=apr, pages={4832–4835} }

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  "abstract": "<jats:p>Microwave rotational transitions for the cyclopropane-HCN complex were observed using the Flygare\u2013Balle pulsed beam Fourier transform spectrometer. The 111\u2192212, 101\u2192202, 110\u2192211, 212\u2192313, 202\u2192303, 211\u2192312, 313\u2192414, 303\u2192404, 312\u2192413, 414\u2192515, 404\u2192505, and 413\u2192514 transitions were observed. The rotational constants obtained are A=20\u2009243\u00b11344 MHz, B=1384.209\u00b10.001 MHz, and C=1327.901\u00b10.001 MHz. The distortion constants are DJ=1.53\u00b10.03 kHz and DJK=50.9\u00b11.1 kHz. The nitrogen quadrupole coupling strength is eQqaa=\u22124.38\u00b10.01 MHz with eQqbb\u2212eQqcc= 0.002\u00b10.003 MHz. The cyclopropane carbon atoms and HCN lie in a plane. The most reasonable bond distance is obtained with the HCN hydrogen atom bonding to the midpoint between two of the cyclopropane carbon atoms. The separation of the centers of mass of HCN and cyclopropane is Rcm= 4.472\u00b10.002 \u00c5. The HCN carbon atom is RCC\u2013C=3.476\u00b10.002 \u00c5 from the cyclopropane carbon\u2013carbon bond. The stretching force constant is ks=0.062 mdyn/\u00c5 and the approximate bonding energy is 860 cm\u22121.</jats:p>",
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