Internal rotation and the chlorine nuclear quadrupole coupling tensor of 1-chloropropane

A deLuis; ME Sanz; FJ Lorenzo; JC Lopez; JL Alonso

doi:10.1006/jmsp.1997.7298

Internal rotation and the chlorine nuclear quadrupole coupling tensor of 1-chloropropane

A deLuis, ME Sanz, FJ Lorenzo, JC Lopez, JL Alonso

Chemistry

Research output: Contribution to journal › Article › peer-review

7 Citations (Scopus)

Abstract

The rotational spectra of the trans and gauche forms of 1-chloropropane have been analyzed in the frequency range 8-40 GHz using Stark, waveguide FTMW, and pulsed molecular beam FTMW spectrometers. The spectra of Cl-35, Cl-37, and the three C-13 isotopomers have been observed for both conformers. The complete quadrupole Cl-coupling tensors have been determined and discussed within the structural considerations. For the gauche form the barrier to internal rotation of the methyl group has been determined to be 2908(4) cal/mol from A-E splittings observed in the first excited torsional state. Two A-E splittings have been observed only in the ground state of the trans form. From these splittings a barrier of 2760 cal/mol has been estimated. (C) 1997 Academic Press.

Original language	English
Pages (from-to)	60-77
Number of pages	18
Journal	JOURNAL OF MOLECULAR SPECTROSCOPY
Volume	184
Issue number	1
DOIs	https://doi.org/10.1006/jmsp.1997.7298
Publication status	Published - Jul 1997

Keywords

NORMAL PROPYL FLUORIDE
MICROWAVE-SPECTRUM

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10.1006/jmsp.1997.7298

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title = "Internal rotation and the chlorine nuclear quadrupole coupling tensor of 1-chloropropane",

abstract = "The rotational spectra of the trans and gauche forms of 1-chloropropane have been analyzed in the frequency range 8-40 GHz using Stark, waveguide FTMW, and pulsed molecular beam FTMW spectrometers. The spectra of Cl-35, Cl-37, and the three C-13 isotopomers have been observed for both conformers. The complete quadrupole Cl-coupling tensors have been determined and discussed within the structural considerations. For the gauche form the barrier to internal rotation of the methyl group has been determined to be 2908(4) cal/mol from A-E splittings observed in the first excited torsional state. Two A-E splittings have been observed only in the ground state of the trans form. From these splittings a barrier of 2760 cal/mol has been estimated. (C) 1997 Academic Press.",

keywords = "NORMAL PROPYL FLUORIDE, MICROWAVE-SPECTRUM",

author = "A deLuis and ME Sanz and FJ Lorenzo and JC Lopez and JL Alonso",

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language = "English",

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TY - JOUR

T1 - Internal rotation and the chlorine nuclear quadrupole coupling tensor of 1-chloropropane

AU - deLuis, A

AU - Sanz, ME

AU - Lorenzo, FJ

AU - Lopez, JC

AU - Alonso, JL

PY - 1997/7

Y1 - 1997/7

N2 - The rotational spectra of the trans and gauche forms of 1-chloropropane have been analyzed in the frequency range 8-40 GHz using Stark, waveguide FTMW, and pulsed molecular beam FTMW spectrometers. The spectra of Cl-35, Cl-37, and the three C-13 isotopomers have been observed for both conformers. The complete quadrupole Cl-coupling tensors have been determined and discussed within the structural considerations. For the gauche form the barrier to internal rotation of the methyl group has been determined to be 2908(4) cal/mol from A-E splittings observed in the first excited torsional state. Two A-E splittings have been observed only in the ground state of the trans form. From these splittings a barrier of 2760 cal/mol has been estimated. (C) 1997 Academic Press.

AB - The rotational spectra of the trans and gauche forms of 1-chloropropane have been analyzed in the frequency range 8-40 GHz using Stark, waveguide FTMW, and pulsed molecular beam FTMW spectrometers. The spectra of Cl-35, Cl-37, and the three C-13 isotopomers have been observed for both conformers. The complete quadrupole Cl-coupling tensors have been determined and discussed within the structural considerations. For the gauche form the barrier to internal rotation of the methyl group has been determined to be 2908(4) cal/mol from A-E splittings observed in the first excited torsional state. Two A-E splittings have been observed only in the ground state of the trans form. From these splittings a barrier of 2760 cal/mol has been estimated. (C) 1997 Academic Press.

KW - NORMAL PROPYL FLUORIDE

KW - MICROWAVE-SPECTRUM

U2 - 10.1006/jmsp.1997.7298

DO - 10.1006/jmsp.1997.7298

M3 - Article

SN - 0022-2852

VL - 184

SP - 60

EP - 77

JO - JOURNAL OF MOLECULAR SPECTROSCOPY

JF - JOURNAL OF MOLECULAR SPECTROSCOPY

IS - 1

ER -

Internal rotation and the chlorine nuclear quadrupole coupling tensor of 1-chloropropane

Abstract

Keywords

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