Accession Number:

AD0733690

Title:

Non-Binding Orbitals, s-Bonding and d-Orbital Participation in Hypervalent Molecules.

Descriptive Note:

Technical rept.,

Corporate Author:

BELFER GRADUATE SCHOOL OF SCIENCE NEW YORK

Personal Author(s):

Report Date:

1971-11-01

Pagination or Media Count:

9.0

Abstract:

The role of non-bonding orbitals in a simple molecular-orbital scheme for hypervalent molecules is discussed. It is shown that the quantitative amount of s-bonding, which occurs only for molecules formed from atoms in their highest valences, is most important in determining the stability of the molecule. The amount of d-orbital participation in molecules such as PF5 and SF6 is seen to make a contribution to the energy that is smaller than the contribution due to electron correlation. Author

Subject Categories:

  • Atomic and Molecular Physics and Spectroscopy

Distribution Statement:

APPROVED FOR PUBLIC RELEASE