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Systematic experimental charge density: linking structural modifications to electron density distributions

Systematic experimental charge density: linking structural modifications to electron density distributions
Systematic experimental charge density: linking structural modifications to electron density distributions
Recent elegant examples illustrate the power of charge density analysis, employed in a systematic way, to link electron density distribution to molecular structure. This leads to new insights into important chemical systems and the effects of systematic modifications to them. The advances made in extracting the electron density distribution from standard resolution X-ray diffraction data and the subsequent use of this information in systematic studies are also described.
0366-7022
2-9
Kirby, Isabelle L.
5839d488-f346-4741-b757-9ecf30777938
Pitak, Mateusz B.
eeb6a00f-2291-4376-830f-d30dfd607ed1
Coles, Simon J.
3116f58b-c30c-48cf-bdd5-397d1c1fecf8
Gale, Philip A.
c840b7e9-6847-4843-91af-fa0f8563d943
Kirby, Isabelle L.
5839d488-f346-4741-b757-9ecf30777938
Pitak, Mateusz B.
eeb6a00f-2291-4376-830f-d30dfd607ed1
Coles, Simon J.
3116f58b-c30c-48cf-bdd5-397d1c1fecf8
Gale, Philip A.
c840b7e9-6847-4843-91af-fa0f8563d943

Kirby, Isabelle L., Pitak, Mateusz B., Coles, Simon J. and Gale, Philip A. (2015) Systematic experimental charge density: linking structural modifications to electron density distributions. Chemistry Letters, 44 (1), 2-9. (doi:10.1246/cl.140929).

Record type: Article

Abstract

Recent elegant examples illustrate the power of charge density analysis, employed in a systematic way, to link electron density distribution to molecular structure. This leads to new insights into important chemical systems and the effects of systematic modifications to them. The advances made in extracting the electron density distribution from standard resolution X-ray diffraction data and the subsequent use of this information in systematic studies are also described.

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More information

Accepted/In Press date: 19 October 2014
e-pub ahead of print date: 25 October 2014
Published date: 2015
Organisations: Organic Chemistry: Synthesis, Catalysis and Flow

Identifiers

Local EPrints ID: 373810
URI: https://eprints.soton.ac.uk/id/eprint/373810
ISSN: 0366-7022
PURE UUID: 67eb464c-d39e-4705-8b20-cb514e4d8a1f
ORCID for Mateusz B. Pitak: ORCID iD orcid.org/0000-0002-3680-7100
ORCID for Simon J. Coles: ORCID iD orcid.org/0000-0001-8414-9272
ORCID for Philip A. Gale: ORCID iD orcid.org/0000-0001-9751-4910

Catalogue record

Date deposited: 02 Feb 2015 13:01
Last modified: 17 Jul 2019 01:04

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