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.
|Number of pages||6|
|Journal||Journal of Molecular Structure: THEOCHEM|
|State||Published - 20 Feb 1994|
Bibliographical noteFunding Information:
We wish to thank the Research Committee of the Universidad de Oriente for financial assistance covering part of this work.