✦ LIBER ✦

Nature and angular geometry of the pre-reactive complex thiirane-chlorine monofluoride from its rotational spectrum

✍ Scribed by C.M. Evans; J.H. Holloway; A.C. Legon

Publisher: Elsevier Science
Year: 1996
Tongue: English
Weight: 666 KB
Volume: 255
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(96)00340-5

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✦ Synopsis

The rotational spectrum of the pre-reactive complex thiirane-ClF was detected with a fast-mixing nozzle in an FF microwave spectrometer. Rotational constants, centrifugal distortion constants, Cl-nuclear quadrupole and spin-rotation coupling constants were determined for the isotopomers (CH2)2S ''' 35CIF and (CH2)28 "'" 37C1F. The complex has Cs symmetry, with a nearly collinear arrangement of the S ... CI-F nuclei (0= 3.5 °) and the CI-F axis making an angle & = 95 ° with the C 2 axis of thiirane. The Cl-nuclear quadmpole coupling constant X= along the ClF internuclear axis suggests a significant contribution of the ionic structure [(CH2)2SC1] + --. F to a valence-bond description of the complex.

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