Dihydrogen bonds in solid BH3NH3

Carole Morrison; Muhammad M. Siddick

doi:10.1002/anie.200460096

Dihydrogen bonds in solid BH₃NH₃

Carole Morrison, Muhammad M. Siddick

School of Chemistry

Research output: Contribution to journal › Article › peer-review

Abstract

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.

Original language	English
Pages (from-to)	4780-4782
Journal	Angewandte Chemie International Edition
Volume	108
Issue number	1
DOIs	https://doi.org/10.1002/anie.200460096
Publication status	Published - 7 Sep 2004

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10.1002/anie.200460096

Dihydrogen bonds in solid BH3NH3
Copyright © 2004 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. All rights reserved.
Accepted author manuscript, 652 KB

http://onlinelibrary.wiley.com/doi/10.1002/anie.200460096/full

The application of new computational methods in chemistry
Morrison, C.
Other (Learned Society)
1/10/00 → 31/03/07
Project: Research

Cite this

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Dihydrogen bonds in solid BH3NH3

Abstract

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The application of new computational methods in chemistry

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Dihydrogen bonds in solid BH₃NH₃