HYBRIDIZATION FROM VIBRATIONAL FORCE CONSTANTS.

Abstract

A summary is given on force constant computations on some small inorganic molecules. The molecules considered were selected largely from the interhalogens, the noble gas compounds and some related molecules. When possible, the numerical force constants were analyzed in terms of models related to the type of molecular bonds. A method was developed to permit analysis of underdetermined systems in a statistically sound fashion. While this does not permit a unique solution, it conveniently requires that force constants for similar molecules be transferable and provides an uncertainty estimate. This method was appropriate for a number of the cases considered. (Author)

Document Details

Document Type
Technical Report
Publication Date
Apr 30, 1970
Accession Number
AD0710281

Entities

People

  • E. C. Curtis

Organizations

  • Rocketdyne

Tags

DTIC Thesaurus Topics

  • Computations
  • Elements
  • Hybridization
  • Molecules
  • Noble Gases
  • Uncertainty

Fields of Study

  • Chemistry

Readers

  • Linear Algebra
  • Molecular Photonics/Laser Physics
  • Theoretical Analysis.