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The Structure of C 60 : Orientational Disorder in the Low‐Temperature Modification of C 60
Author(s) -
Bürgi HansBeat,
Blanc Eric,
Schwarzenbach Dieter,
Liu Shengzhong,
Lu Yingjie,
Kappes Manfred M.,
Ibers James A.
Publication year - 1992
Publication title -
angewandte chemie international edition in english
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 0570-0833
DOI - 10.1002/anie.199206401
Subject(s) - buckminsterfullerene , intermolecular force , molecule , crystal structure , crystallography , bond length , fullerene , materials science , crystal (programming language) , chemistry , organic chemistry , computer science , programming language
The crystal structure of buckminsterfullerene C 60 (depicted on the right) determined below 249 K shows a temperature‐dependent twofold orientational disorder of the molecules with Δ H = 1.06(5) kJ mol −1 and Δ S = 0.0(4) J K −1 mol −1 . In agreement with the small energy difference, the intermolecular contacts are found to be very similar for both molecular orientations. The CC bond lengths are 1.450(3) and 1.387(3) Å.