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Conformational interconversion of [1.1] ferrocenophane: A molecular mechanics study
Author(s) -
RudzińAski Jerzy M.,
ŌSawa Eiji
Publication year - 1993
Publication title -
journal of physical organic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.325
H-Index - 66
eISSN - 1099-1395
pISSN - 0894-3230
DOI - 10.1002/poc.610060207
Subject(s) - chemistry , molecular mechanics , intramolecular force , ferrocene , computational chemistry , mechanism (biology) , stereochemistry , molecular dynamics , philosophy , electrode , epistemology , electrochemistry
Abstract A molecular mechanics scheme developed for bridged ferrocene derivatives was applied to study the conformational energy surface of [1.1] ferrocenophane (1). The mechanism of the intramolecular interconversion of 1 is shown to be different from the mechanism of the syn – syn exchange proposed earlier for this ‘molecular acrobat’.