Author:
Galvão Adelino M.,Ferreira da Silva João L.
Abstract
This work reports the use of extended Hückel molecular orbital (EHMO) calculations to correlate pz electronic densities of aromatic carbons in group VI metal-bis(η6-arene) complexes with the respective 1H NMR chemical shifts. The effect of delocalization on the acceptor properties and stabilization of ligand orbitals is analyzed comparing complexes of naphthalene, biphenyle and fluorene.
Publisher
Institute of Organic Chemistry & Biochemistry
Cited by
2 articles.
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