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The nature of the boron-carbon double bond in 2,4-diboramethylenecyclopropane

✍ Scribed by Gernot Frenking; Henry F. Schaefer III

Publisher: Elsevier Science
Year: 1984
Tongue: English
Weight: 333 KB
Volume: 109
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(84)85417-2

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✦ Synopsis

The structure of the title compound has been determined by means of ab initio SCF theory using a double-zeta plus polarization basis set. A very unusual, nearly bicyclic geometry has been found as$obaJ minimum, which contains a strong boron-carbon double bond. The results of theoretically determined vibrational frequencies and IR intensities are reported and provide useful information on the structure and topomerization processes of 2,4-diboramethylenecyclopropane.

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