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Substituent Effects on the Chemical Reactivities of Tricarbonyl and Tetracarbonyl Iron Complexes of 7‐Azanorbornadiene Derivatives
Author(s) -
Huang HaiWei,
Lee ShyiLong,
Chow Tahsin J.
Publication year - 1993
Publication title -
journal of the chinese chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.329
H-Index - 45
eISSN - 2192-6549
pISSN - 0009-4536
DOI - 10.1002/jccs.199300081
Subject(s) - chemistry , substituent , reactivity (psychology) , molecular orbital , computational chemistry , medicinal chemistry , organic chemistry , molecule , medicine , alternative medicine , pathology
The intermediates of nitrene‐extrusion reaction were found in the forms of (ANB)Fe(CO) 4 or (ANB)Fe(CO) 3 during the reaction of 7‐azanorbornadiene derivatives (ANB) with diiron nonacarbonyl. By using extended Hückel molecular orbital (EHMO) calculation, we found that the chemical behavior of these complexes is correlated with the nature of substituents of ANB. The relative reactivity of (ANB)Fe(CO) 4 and (ANB)Fe(CO) 3 is influenced by the charge distributions on iron and nitrogen. In the crystal structure of (ANB)Fe(CO) 4 an angular distortion of Fc‐C=O is observed, which is a result of donor‐acceptor interaction between the lone‐pair of N and the π* orbital of CO.