Compliant fields for molecular interactions I

Lithium cation with carbonyl donors

A. S N Murthy*, Shoba Ranganathan

*Corresponding author for this work

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

The cndo/Force method has been employed in the determination of quadratic potential functions for the complexes of lithium cation with formaldehyde and formamide. The O, Li+ stretching frequency and the COLi+ bending frequencies have been estimated after scaling, the stretching and stretch-stretch elements of the force constant matrix. The transferability of the donor potential function to the complex has been verified.

Original languageEnglish
Pages (from-to)535-545
Number of pages11
JournalProceedings of the Indian Academy of Sciences - Chemical Sciences
Volume91
Issue number6
DOIs
Publication statusPublished - Dec 1982
Externally publishedYes

    Fingerprint

Keywords

  • cndo/Force method
  • compliance constants
  • Ion-molecular interactions

Cite this