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Structure of Bis(pentafluorophenyl)xenon, Xe(C 6 F 5 ) 2
Author(s) -
Bock Harald,
HinzHübner Dirk,
Ruschewitz Uwe,
Naumann Dieter
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(20020201)41:3<448::aid-anie448>3.0.co;2-w
Subject(s) - monoclinic crystal system , crystallography , xenon , ab initio , density functional theory , diffraction , powder diffraction , crystal structure , chemistry , ab initio quantum chemistry methods , computational chemistry , materials science , atomic physics , physics , molecule , quantum mechanics , organic chemistry
Despite the extreme instability the organoxenon( II ) compound Xe(C 6 F 5 ) 2 ( 1 ; see structure) was determined from X‐ray powder diffraction data. Compound 1 crystallizes in the monoclinic space group P 2 1 / n , the C‐Xe‐C unit is linear, and the torsion angle of the C 6 F 5 rings is 72.5°. Experimental molecular parameters match well with calculated ones based on ab initio and density functional theory calculations.