Details
| Original language | English |
|---|---|
| Pages (from-to) | 231-244 |
| Number of pages | 14 |
| Journal | Journal of molecular structure |
| Volume | 612 |
| Issue number | 2-3 |
| Publication status | Published - 17 Jul 2002 |
Abstract
Pulsed molecular beam Fourier transform microwave spectroscopy has been used in order to remove disagreements in previous assignments of the rotational spectra of (chloromethyl)cyclopropane and (chloromethyl)oxirane. For the latter, two rotameric forms have been detected in a supersonic jet. It has been possible to determine, in addition to the rotational and quartic centrifugal distortion constants, the complete chlorine quadrupole coupling tensors including all of their off-diagonal elements for the 35Cl and 37Cl isotopomers of all gauche conformers. From these data, modified plausible structures could be deduced. These findings are supported by the results of quantum chemical calculations.
Keywords
- (Chloromethyl)cyclopropane, (Chloromethyl)oxirane, Cl-quadrupole coupling, Conformers, Microwave
ASJC Scopus subject areas
- Chemistry(all)
- Analytical Chemistry
- Chemistry(all)
- Spectroscopy
- Chemistry(all)
- Organic Chemistry
- Chemistry(all)
- Inorganic Chemistry
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In: Journal of molecular structure, Vol. 612, No. 2-3, 17.07.2002, p. 231-244.
Research output: Contribution to journal › Article › Research › peer review
}
TY - JOUR
T1 - Molecular beam Fourier transform microwave spectra of (chloromethyl)cyclopropane and (chloromethyl)oxirane
AU - Heineking, N.
AU - Grabow, J. U.
AU - Merke, I.
PY - 2002/7/17
Y1 - 2002/7/17
N2 - Pulsed molecular beam Fourier transform microwave spectroscopy has been used in order to remove disagreements in previous assignments of the rotational spectra of (chloromethyl)cyclopropane and (chloromethyl)oxirane. For the latter, two rotameric forms have been detected in a supersonic jet. It has been possible to determine, in addition to the rotational and quartic centrifugal distortion constants, the complete chlorine quadrupole coupling tensors including all of their off-diagonal elements for the 35Cl and 37Cl isotopomers of all gauche conformers. From these data, modified plausible structures could be deduced. These findings are supported by the results of quantum chemical calculations.
AB - Pulsed molecular beam Fourier transform microwave spectroscopy has been used in order to remove disagreements in previous assignments of the rotational spectra of (chloromethyl)cyclopropane and (chloromethyl)oxirane. For the latter, two rotameric forms have been detected in a supersonic jet. It has been possible to determine, in addition to the rotational and quartic centrifugal distortion constants, the complete chlorine quadrupole coupling tensors including all of their off-diagonal elements for the 35Cl and 37Cl isotopomers of all gauche conformers. From these data, modified plausible structures could be deduced. These findings are supported by the results of quantum chemical calculations.
KW - (Chloromethyl)cyclopropane
KW - (Chloromethyl)oxirane
KW - Cl-quadrupole coupling
KW - Conformers
KW - Microwave
UR - http://www.scopus.com/inward/record.url?scp=0037125356&partnerID=8YFLogxK
U2 - 10.1016/S0022-2860(02)00094-7
DO - 10.1016/S0022-2860(02)00094-7
M3 - Article
AN - SCOPUS:0037125356
VL - 612
SP - 231
EP - 244
JO - Journal of molecular structure
JF - Journal of molecular structure
SN - 0022-2860
IS - 2-3
ER -