Harmonic force constants of boron trihalides and some mixed halides of boron

Juan Roberto Anacona, Marcos Antonio Loroño Gonzalez

Research output: Contribution to journalArticlepeer-review

2 Scopus citations

Abstract

A reliable set of harmonic force constants was calculated for BF3, BCl3, BBr3, BI3, BF2Cl, BF2Br, BCl2F, BCl2Br, BBr2F, and BBr2Cl using the observed vibrational frequencies of these compounds (containing 10B or 11B isotopes) and the iterative consistency method. The final force field reproduces quite satisfactorily the experimental frequencies. Some of the principal stretching force constants were found to vary systematically with the electronegativity of the halogen.

Original languageEnglish
Pages (from-to)279-284
Number of pages6
JournalJournal of Molecular Structure: THEOCHEM
Volume304
Issue number3
DOIs
StatePublished - 20 Feb 1994
Externally publishedYes

Bibliographical note

Funding Information:
We wish to thank the Research Committee of the Universidad de Oriente for financial assistance covering part of this work.

Copyright:
Copyright 2018 Elsevier B.V., All rights reserved.

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