Dihydrogen bonds in solid BH3NH3

被引：82

作者：

Morrison, CA

Siddick, MM

机构：

[1] Univ Edinburgh, Sch Chem, Edinburgh EH9 3JZ, Midlothian, Scotland

[2] Univ Edinburgh, Sch Phys, Edinburgh EH9 3JZ, Midlothian, Scotland

[3] Univ Edinburgh, Sch Chem, Edinburgh EH9 3JJ, Midlothian, Scotland

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2004年 / 43卷 / 36期

关键词：

boron; density functional calculations; dihydrogen bonds; solid state structures;

D O I：

10.1002/anie.200460096

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

How strong is the H⋯H bond in solid BH3NH3? Insight from periodic density functional calculations predicts an average value of 12.7 kJ mol-1, reassigning the interaction towards the lower end of the dihydrogen bond strength spectrum.

引用

页码：4780 / 4782

页数：3

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