Published July 1980 | Version v1
Journal article

Relativistic modifications of covalent bonding in heavy elements: The Kappa valence method

Creators

  • 1. Cambridge Univ. (UK). Dept. of Theoretical Chemistry

Description

It is shown by using the relativistic generalization of spin-valence theory that the j-j coupled ground state of an element having a single valence electron in a Dirac-Fock anti p or p orbital can form a stable covalent bond to a hydrogen atom. The bond is shown to be a mixture of a normal covalent sigma bond and the triplet bond formed by the interaction of two electrons occupying orthogonal orbitals. (orig.)

Additional details

Publishing Information

Journal Title
Chem. Phys. Lett.
Journal Volume
73
Journal Issue
2
Series
Chem. Phys. Lett.
Journal Page Range
385-392
ISSN
0009-2614

INIS

Country of Publication
Netherlands
Country of Input or Organization
Netherlands
INIS RN
11566610
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Descriptors DEI
BINDING ENERGY; CHEMICAL BONDS; ELECTRON CORRELATION; ELECTRONIC STRUCTURE; MOLECULAR ORBITAL METHOD; MOLECULAR STRUCTURE
Descriptors DEC
CORRELATIONS; ENERGY