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An MO study of methylenimine in the lowest excited state. Comparison with CH2CH2, NHNH and CH2O

✍ Scribed by Yoshihiro Osamura; Kazuo Kitaura; Kichisuke Nishimoto; Shinichi Yamabe

Publisher
Elsevier Science
Year
1979
Tongue
English
Weight
350 KB
Volume
63
Category
Article
ISSN
0009-2614

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✦ Synopsis

The structure of methylenimine (CII2Nti) in the Iouest excited state is crlcuhted usiq the siri_&' exited confiium~ion interaction (SJXI) procedure_ The result sho\is that the lowest triplet state of methylenimine of I= -ii* characrer is expected to have it stable structure twisted 47" about the C-N bond and th;lt thts sir&et n -pi* e'rcitzifioon leads to a 90' twist of the 1\111 bond and fipping of the CH2 part. This strurmregiws important information on the mechanism of photoisomerizrttion of imine in then-c c* sin$et state. The excited states of the isoelectronic species, ethylene, diimide and forrrmldehyde. are compared with that of methyIenimine.

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