期刊
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
卷 59, 期 47, 页码 20900-20903出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.202010024
关键词
bond analysis; bond analysis; covalent bonds; electrostatic interactions; sodium; quantum chemistry
资金
- CESNET [LM2015042]
- CERIT Scientific Clouds [LM2015085]
A newly introduced Na-B bond in NaBH(3)(-)has been a challenge for the chemical bonding community. Here, a series of MBH3-(M=Li, Na, K) species and NaB(CN)(3)(-)are studied within the context of quantum chemical topology approaches. The analyses suggest that M-B interaction cannot be classified as an ordinary covalent, dative, or even simple ionic interaction. The interactions are controlled by coulombic forces between the metals and the substituents on boron, for example, H or CN, more than the direct M-B interaction. On the other hand, while the characteristics of the (3, -1) critical points of the bonds are comparable to weak hydrogen bonds, not covalent bonds, the metal and boron share a substantial sum of electrons. To the best of the author's knowledge, the characteristics of these bonds are unprecedented among known molecules. Considering all paradoxical properties of these bonds, they are herein described as ionic-enforced covalent bonds.
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