Molecular beam Fourier transform microwave spectra of (chloromethyl)cyclopropane and (chloromethyl)oxirane

Publikation: Beitrag in FachzeitschriftArtikelForschungPeer-Review

Autoren

  • N. Heineking
  • J. U. Grabow
  • I. Merke

Externe Organisationen

  • Diehl Glaeser Hiltl & Partner
  • Rheinisch-Westfälische Technische Hochschule Aachen (RWTH)
Forschungs-netzwerk anzeigen

Details

OriginalspracheEnglisch
Seiten (von - bis)231-244
Seitenumfang14
FachzeitschriftJournal of molecular structure
Jahrgang612
Ausgabenummer2-3
PublikationsstatusVeröffentlicht - 17 Juli 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.

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Molecular beam Fourier transform microwave spectra of (chloromethyl)cyclopropane and (chloromethyl)oxirane. / Heineking, N.; Grabow, J. U.; Merke, I.
in: Journal of molecular structure, Jahrgang 612, Nr. 2-3, 17.07.2002, S. 231-244.

Publikation: Beitrag in FachzeitschriftArtikelForschungPeer-Review

Heineking N, Grabow JU, Merke I. Molecular beam Fourier transform microwave spectra of (chloromethyl)cyclopropane and (chloromethyl)oxirane. Journal of molecular structure. 2002 Jul 17;612(2-3):231-244. doi: 10.1016/S0022-2860(02)00094-7
Heineking, N. ; Grabow, J. U. ; Merke, I. / Molecular beam Fourier transform microwave spectra of (chloromethyl)cyclopropane and (chloromethyl)oxirane. in: Journal of molecular structure. 2002 ; Jahrgang 612, Nr. 2-3. S. 231-244.
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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.",
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Download

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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

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