Details
| Original language | English |
|---|---|
| Pages (from-to) | 1177-1185 |
| Number of pages | 9 |
| Journal | Molecular physics |
| Volume | 81 |
| Issue number | 5 |
| Publication status | Published - 1994 |
Abstract
We have remeasured the spectrum of the isotopically most abundant species of ethylisocyanate (12CH312CH214N12C160), and assigned for the first time the spectra of all13C-15N-, and18O-monosubstituted isotopomers in their respective natural abundances employing pulsed molecular beam microwave Fourier transform spectroscopy. We used these data to determine the heavy atom rs and ro structure where the most interesting structural parameters, the C-N-C and N-C-O angles, were found to be 138-5° and 176°, with the oxygen atom trans to the ethyl group. Additionally we obtained improved values of the14N quadrupole coupling constants (in MHz) χaa = 2-5488(6), χbb = —1-1717(8), and χcc = —1-3771(8) of the12CH312CH214N12ClsO species. From the variation of the coupling constants with isotopic substitution, we also determined the angular position of the coupling tensor in the inertial axis system.
ASJC Scopus subject areas
- Biochemistry, Genetics and Molecular Biology(all)
- Biophysics
- Biochemistry, Genetics and Molecular Biology(all)
- Molecular Biology
- Physics and Astronomy(all)
- Condensed Matter Physics
- Chemistry(all)
- Physical and Theoretical Chemistry
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In: Molecular physics, Vol. 81, No. 5, 1994, p. 1177-1185.
Research output: Contribution to journal › Article › Research › peer review
}
TY - JOUR
T1 - The microwave spectrum and molecular structure of ethylisocyanate
AU - Heineking, N.
AU - Grabow, J. U.
AU - Stahl, W.
N1 - Funding Information: We thank Professor H. Dreizler for critically reading the manuscript. Funding by the Deutsche Forschungsgemeinschaft and the Land Schleswig-Holstein is gratefully acknowledged.
PY - 1994
Y1 - 1994
N2 - We have remeasured the spectrum of the isotopically most abundant species of ethylisocyanate (12CH312CH214N12C160), and assigned for the first time the spectra of all13C-15N-, and18O-monosubstituted isotopomers in their respective natural abundances employing pulsed molecular beam microwave Fourier transform spectroscopy. We used these data to determine the heavy atom rs and ro structure where the most interesting structural parameters, the C-N-C and N-C-O angles, were found to be 138-5° and 176°, with the oxygen atom trans to the ethyl group. Additionally we obtained improved values of the14N quadrupole coupling constants (in MHz) χaa = 2-5488(6), χbb = —1-1717(8), and χcc = —1-3771(8) of the12CH312CH214N12ClsO species. From the variation of the coupling constants with isotopic substitution, we also determined the angular position of the coupling tensor in the inertial axis system.
AB - We have remeasured the spectrum of the isotopically most abundant species of ethylisocyanate (12CH312CH214N12C160), and assigned for the first time the spectra of all13C-15N-, and18O-monosubstituted isotopomers in their respective natural abundances employing pulsed molecular beam microwave Fourier transform spectroscopy. We used these data to determine the heavy atom rs and ro structure where the most interesting structural parameters, the C-N-C and N-C-O angles, were found to be 138-5° and 176°, with the oxygen atom trans to the ethyl group. Additionally we obtained improved values of the14N quadrupole coupling constants (in MHz) χaa = 2-5488(6), χbb = —1-1717(8), and χcc = —1-3771(8) of the12CH312CH214N12ClsO species. From the variation of the coupling constants with isotopic substitution, we also determined the angular position of the coupling tensor in the inertial axis system.
UR - http://www.scopus.com/inward/record.url?scp=0142151811&partnerID=8YFLogxK
U2 - 10.1080/00268979400100791
DO - 10.1080/00268979400100791
M3 - Article
AN - SCOPUS:0142151811
VL - 81
SP - 1177
EP - 1185
JO - Molecular physics
JF - Molecular physics
SN - 0026-8976
IS - 5
ER -