Examination of intermolecular electronic interactions in the crystal structure of C60(CF3)12 by experimental electron density determination

Lilianna Chęcińska; Sergey I. Troyanov; Stefan Mebs; Christian B. Hübschle; Peter Luger

doi:10.1039/B712694H

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Chemical Communications

Issue 39, 2007

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Examination of intermolecular electronic interactions in the crystal structure of C₆₀(CF₃)₁₂ by experimental electron density determination

Lilianna Chęcińska , Sergey I. Troyanov , Stefan Mebs , Christian B. Hübschle and Peter Luger

Chem. Commun., 2007, 4003-4005

DOI: 10.1039/B712694H
Received 17 Aug 2007, Accepted 06 Sep 2007
First published on the web 20 Sep 2007

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From a high resolution X-ray data set measured at 20 K the experimental electron density of the fullerene C₆₀(CF₃)₁₂ was derived and topologically analyzed to yield, in addition to bond topological and atomic properties, information about the density distribution in the region where hexagons of adjacent molecules approach closely at only 3.3 Å.

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Lilianna Chęcińska
Sergey I. Troyanov
Stefan Mebs
Christian B. Hübschle
Peter Luger

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Chemical Communications

Examination of intermolecular electronic interactions in the crystal structure of C₆₀(CF₃)₁₂ by experimental electron density determination

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