DOI: 10.1039/A701636K
(Paper)
J. Chem. Soc., Faraday Trans., 1997, 93, 2957-2962
On the π-bond strengths in higher element homologues of methylenephosphane and diphosphene
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Wolfgang W. Schoeller, Carola Begemann, Ulrike Tubbesing and Jörg Strutwolf
Abstract
The π-bond strengths of the structures HX![[double bond, length as m-dash]](https://www.rsc.org/images/entities/char_e001.gif)
XH and HXYH2, X = P, As, Sb, Bi; Y = C, Si, Ge, Sn are investigated by means of quantum chemical calculations at the MCSCF level. They are approximated by the magnitudes of the corresponding rotational barriers within the singlet states. Accordingly, the π-bond strength in these systems fades off with increasing atomic number of the heavy atoms incorporated in the π systems. A comparison is drawn to corresponding σ-bond energies, as estimated by the Pauling relationship.