Crystal structure analysis of 1,1,4,4-tetrafluorobutadiene and experimental determination of the charge density of 1,1,4,4-tetrafluorobutatriene

Ansgar Bach; Dieter Lentz; Peter Luger; Marc Messerschmidt; Christian Olesch; Mona Patzschke

doi:10.1002/1521-3773(20020118)41:2<296::AID-ANIE296>3.0.CO;2-A

Crystal structure analysis of 1,1,4,4-tetrafluorobutadiene and experimental determination of the charge density of 1,1,4,4-tetrafluorobutatriene

Ansgar Bach, Dieter Lentz, Peter Luger, Marc Messerschmidt, Christian Olesch, Mona Patzschke

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

36 Scopus citations

Abstract

Despite its high instability, the cumulene 1,1,4,4-tetrafluorobutatriene was obtained in a crystalline form. Its X-ray structure characterization revealed the presence of a herringbone motif in the solid state (see picture). Experimental and calculated charge desity distributions show, as expected, that the central double bond is shorter and displays a higher charge density than the two outer double bonds.

Original language	English (US)
Pages (from-to)	296-299
Number of pages	4
Journal	Angewandte Chemie - International Edition
Volume	41
Issue number	2
DOIs	https://doi.org/10.1002/1521-3773(20020118)41:2<296::AID-ANIE296>3.0.CO;2-A
State	Published - Jan 18 2002
Externally published	Yes

Keywords

C-C coupling
Charge density
Cumulenes
Solid-state structures
X-ray diffraction

ASJC Scopus subject areas

Catalysis
General Chemistry

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10.1002/1521-3773(20020118)41:2<296::AID-ANIE296>3.0.CO;2-A

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Bach, A, Lentz, D, Luger, P, Messerschmidt, M, Olesch, C & Patzschke, M 2002, 'Crystal structure analysis of 1,1,4,4-tetrafluorobutadiene and experimental determination of the charge density of 1,1,4,4-tetrafluorobutatriene', Angewandte Chemie - International Edition, vol. 41, no. 2, pp. 296-299. https://doi.org/10.1002/1521-3773(20020118)41:2<296::AID-ANIE296>3.0.CO;2-A

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AU - Lentz, Dieter

AU - Luger, Peter

AU - Messerschmidt, Marc

AU - Olesch, Christian

AU - Patzschke, Mona

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KW - Solid-state structures

KW - X-ray diffraction

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Crystal structure analysis of 1,1,4,4-tetrafluorobutadiene and experimental determination of the charge density of 1,1,4,4-tetrafluorobutatriene

Abstract

Keywords

ASJC Scopus subject areas

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