A quantum crystallographic approach to short hydrogen bonds-Reference-Cited by-同舟云学术

A quantum crystallographic approach to short hydrogen bonds

Published:2021 Issue:35 Volume:23 Page:6180-6190
ISSN:1466-8033
Container-title:CrystEngComm
language:en
Short-container-title:CrystEngComm

Author:

Saunders Lucy K.¹^ORCID,Pallipurath Anuradha R.²³⁴^ORCID,Gutmann Matthias J.⁵,Nowell Harriott¹,Zhang Ningjin⁶,Allan David R.¹^ORCID

Affiliation:

1. Diamond Light Source, Harwell Science and Innovation Campus, Didcot, OX11 0DE, UK

2. School of Chemical and Process Engineering, University of Leeds, Leeds, LS2 9JT, UK

3. Research Complex at Harwell, Didcot, Oxfordshire, OX11 0DE, UK

4. EPSRC Centre for Innovative Manufacturing in Continuous Manufacturing and Advanced Crystallization, University of Strathclyde, G1 1RD, UK

5. ISIS Pulsed Muon and Neutron Source, Rutherford Appleton Laboratory, Harwell Oxford, Didcot, OX11 0QX, UK

6. Chemistry, Faculty of Natural and Environmental Sciences, Highfield Campus, University of Southampton, Southampton, SO17 1HE, UK

Abstract

Mapped electron density and ab initio modelling reveal how H-atom position and molecular environment tune short hydrogen bond characteristics and properties.

Funder

Wellcome Trust

Science and Technology Facilities Council

Engineering and Physical Sciences Research Council

Publisher

Royal Society of Chemistry (RSC)

Subject

Condensed Matter Physics,General Materials Science,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CE/D1CE00355K

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