Volume 15, Issue 1 pp. 17-20
Article
Full Access

Theoretical studies on Lewis acidity scale and bonding character of boron trihalides BX3(X=F, C1, Br, I) by DV-Xα quantum chemical approach

Zheng-Ting Cai

Corresponding Author

Zheng-Ting Cai

Institute of Theoretical Chemistry, Jinan, Shandong 250100, China

Institute of Theoretical Chemistry, Jinan, Shandong 250100, ChinaSearch for more papers by this author
Ci-Ran Li

Ci-Ran Li

Department of Chemistry Shandong University, Jinan, Shandong 250100, China

Search for more papers by this author
Rui-Qin Zhang

Rui-Qin Zhang

Department of Physics Shandong University, Jinan, Shandong 250100, China

Search for more papers by this author
Cong-Hao Deng

Cong-Hao Deng

Institute of Theoretical Chemistry, Jinan, Shandong 250100, China

Search for more papers by this author
First published: 27 August 2010
Citations: 1

Abstract

The Lewis acidity scale of boron trihalides BX3 (X=F, C1, Br, I) and character of the boron-halogen bonds have been studied by means of DV-Xm approach. Present results show that the acid strength of boron trihalides increases in the order BF3<BCl3<BBr3<BI3, in excellent agreement with experiments. Based on boron-halogen bonding character, the valence of boron atom in boron compounds can be considered M equal to five instead of three which seems to be more reasonable.

The full text of this article hosted at iucr.org is unavailable due to technical difficulties.