Issue 14, 1973

Molecular orbital studies of platinum olefin and acetylene complexes: reactions and reaction mechanisms

Abstract

Relative energies of platinum olefin and acetylene complexes, obtained from non-iterative semi-empirical one-electron molecular-orbital (NISEMO) calculations, are in qualitative agreement with available experimental results. Based on a synthesis of these calculations and the experimental results, mechanisms are proposed for (a) olefin–vinyl rearrangement, (b) HCl addition to π-bonded acetylene, and (c)π-bonded acetylene–acetylide-hydride rearrangement. This method provides a reasonable and economical approach to predicting the mechanisms and courses of reaction of fairly large molecules.

Article information

Article type
Paper

J. Chem. Soc., Dalton Trans., 1973, 1457-1462

Molecular orbital studies of platinum olefin and acetylene complexes: reactions and reaction mechanisms

K. S. Wheelock, J. H. Nelson, J. D. Kelly, H. B. Jonassen and L. C. Cusachs, J. Chem. Soc., Dalton Trans., 1973, 1457 DOI: 10.1039/DT9730001457

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