期刊
CRYSTALS
卷 10, 期 6, 页码 -出版社
MDPI
DOI: 10.3390/cryst10060460
关键词
tetrafluoroborate BF(4)(-)anion; hydrogen bond; crystal structures; boron centre; energy of interaction
资金
- Spanish Government MINECO/FEDER [CTQ2016-80955-P]
- Basque Government-Eusko Jaurlaritza [IT1254-19]
The BF(4)(-)anion is characterised by weak Lewis base properties; it is usually classified as a non-coordinating anion. The searches through the Cambridge Structural Database (CSD) were performed and it was found that the BF(4)(-)anion often occurs in crystal structures and it is involved in numerous intermolecular interactions; hydrogen bonds are the majority of them. The hydrogen bonds involving the BF(4)(-)anion as a proton acceptor are closer to linearity with the increase of the strength of interaction that is in line with the tendency known for other hydrogen bonds. However, even for short contacts between the proton and the Lewis base centre, slight deviations from linearity occur. The MP2/aug-cc-pVTZ calculations on the BF4- horizontal ellipsis HCN complex and on the BF4- horizontal ellipsis (HCN)(4)cluster were also carried out to characterise corresponding C-H horizontal ellipsis F hydrogen bonds; such interactions often occur in crystal structures.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据