TY - JOUR
T1 - Harmonic force constants of boron trihalides and some mixed halides of boron
AU - Anacona, Juan Roberto
AU - Loroño, Marcos
N1 - Funding Information:
We wish to thank the Research Committee of the Universidad de Oriente for financial assistance covering part of this work.
PY - 1994/2/20
Y1 - 1994/2/20
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=0542358934&partnerID=8YFLogxK
U2 - 10.1016/0166-1280(94)80026-X
DO - 10.1016/0166-1280(94)80026-X
M3 - Artículo
AN - SCOPUS:0542358934
SN - 0166-1280
VL - 304
SP - 279
EP - 284
JO - Journal of Molecular Structure: THEOCHEM
JF - Journal of Molecular Structure: THEOCHEM
IS - 3
ER -