Premium
Crystal Structure Analysis of 1,1,4,4‐Tetrafluorobutadiene and Experimental Determination of the Charge Density of 1,1,4,4‐Tetrafluorobutatriene
Author(s) -
Bach Ansgar,
Lentz Dieter,
Luger Peter,
Messerschmidt Marc,
Olesch Christian,
Patzschke Mona
Publication year - 2002
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/1521-3773(20020118)41:2<296::aid-anie296>3.0.co;2-a
Subject(s) - charge (physics) , work (physics) , crystal structure , physics , materials science , crystallography , chemistry , quantum mechanics
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 herring‐bone 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.