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Internal Rotation and the Chlorine Nuclear Quadrupole Coupling Tensor of 1-Chloropropane

✍ Scribed by Ana de Luis; M.Eugenia Sanz; Felipe J. Lorenzo; Juan C. López; José L. Alonso

Publisher
Elsevier Science
Year
1997
Tongue
English
Weight
807 KB
Volume
184
Category
Article
ISSN
0022-2852

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✦ Synopsis

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 35 Cl, 37 Cl, and the three 13 C 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.

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