Uncovering the role of non-covalent interactions in solid-state photoswitches by non-spherical structure refinements with NoSpherA2-Reference-Cited by-同舟云学术

Uncovering the role of non-covalent interactions in solid-state photoswitches by non-spherical structure refinements with NoSpherA2

Published:2023 Issue: Volume: Page:
ISSN:1359-6640
Container-title:Faraday Discussions
language:en
Short-container-title:Faraday Discuss.

Author:

Hatcher Lauren E.¹^ORCID,Saunders Lucy K.²^ORCID,Coulson Ben A.¹^ORCID

Affiliation:

1. School of Chemistry, Cardiff University, Main Building, Park Place, Cardiff, CF10 AT, UK

2. Diamond Light Source, Harwell Science and Innovation Campus, Fermi Ave, Didcot, OX11 0DE, UK

Abstract

Charge density analysis, via Hirshfeld atom refinement in NoSpherA2, is used to rationalise key structure–property relationships in photoswitchable single-crystals.

Funder

Royal Society

European Regional Development Fund

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2023/FD/D2FD00158F

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