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13C hyperfine coupling and structure of the ·CHCl2 radical in CH2Cl2 crystal by esr

✍ Scribed by Anders Lund; Yuhei Shimoyama

Publisher: Elsevier Science
Year: 1976
Tongue: English
Weight: 321 KB
Volume: 42
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(76)80685-9

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✦ Synopsis

Measurement of the 13C hyperfine coupling constant of -CHC12 in singe crystal CH2C& at 77 K leads to the Lonclusion that the radical converts between two equivalent pyramidal structures at a rate s@ifiuntly higher than 10' Hz. The anisotropy of the g-factor and the I H, 35C1 and 13C hyperfime couplings is consistent with an average planar structure. The conclusion is supported by ab initio calculations which show that the barrier for interconversion corresponds to a rate of the order 1013 Hz. A similar behaviour is predicted for -CH2Cl.

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