Theoretical studies of intramolecular rearrangements in polyene-MLn complexes

Date
1983
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Abstract

Molecular orbital calculations of the extended Huckel type have been carried out to probe the course of intramolecular rearrangements in Polyene-MLn complexes. An alternative geometry for metallocene was examined based on the isolobal concept. It is shown that compounds with a strained cycle containing an electropositive main group element are the most likely candidates to undergo the conversion to a nonclassical structure where an X-H unit (X = B,C) has exchanged its position with an isolobal MCp fragment, (Cp = cyclopentadiene). [...]

Description
Keywords
Rearrangements (Chemistry), Metallocenes
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