Theoretical studies on Lewis acidity scale and bonding character of boron trihalides BX3(X=F, Cl, Br, I) by DV-Xα quantum chemical approach

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review

1 Scopus Citations
View graph of relations



Original languageEnglish
Pages (from-to)17-20
Journal / PublicationChinese Journal of Chemistry
Issue number1
Publication statusPublished - 1997
Externally publishedYes


The Lewis acidity scale of boron trihalides BX3 (X=F, Cl, Br, I) and character of the boron-halogen bonds have been studied by means of DV-Xα approach. Present results show that the acid strength of boron trihalides increases in the order BF3333, in excellent agreement with experiments. Based on boron-halogen bonding character, the valence of boron atom in boron compounds can be considered as equal to five instead of three which seems to be more reasonable.

Research Area(s)

  • Boron trihalides, DV-Xα quantum chemical approach, Lewis acidity scale, Valence of boron