Issue 7, 1994
From the journal:

Journal of the Chemical Society, Perkin Transactions 2

Electronic structure and bonding in polycoordinated iodine compounds

Vassilios E. Mylonas,   Michael P. Sigalas,   George A. Katsoulos,   Constantinos A. Tsipis  and  Anastasios G. Varvoglis  

Abstract

An investigation of the geometry and electronic structure of some hypervalent iodine compounds of type PhIX2 by means of extended Hückel and CNDO/2 quantum chemical approaches was undertaken. The analysis of the bonding was made in terms of both the model of delocalized MOs on the basis of interactions between fragment molecular orbitals derived from EHMO-SCCC calculations, and that of localized MOs derived by the CNDO/2 method. The ability of these compounds to afford cis-addition products with ethylene double bonds via a synchronous molecular addition mechanism was found to be theoretically feasible.

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Article information

DOI
https://doi.org/10.1039/P29940001691
Article type
Paper

J. Chem. Soc., Perkin Trans. 2, 1994, 1691-1696

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Electronic structure and bonding in polycoordinated iodine compounds

V. E. Mylonas, M. P. Sigalas, G. A. Katsoulos, C. A. Tsipis and A. G. Varvoglis, J. Chem. Soc., Perkin Trans. 2, 1994, 1691 DOI: 10.1039/P29940001691

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