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Licensed Unlicensed Requires Authentication Published by De Gruyter (O) August 28, 2018

Conformational trimorphism of bis(2,6-dimesitylphenyl)ditelluride

  • Simon Grabowsky EMAIL logo , Ole Mallow , Rumpa Pal , Yves Pergandé , Enno Lork , Christian Näther EMAIL logo and Jens Beckmann EMAIL logo


Besides the previously known α-form (monoclinic, P21/c, Z=4) of bis(2,6-dimesitylphenyl)ditelluride, two new polymorphic modifications, namely the β-form (monoclinic, P21/c, Z=8) and the γ-form (triclinic, P1̅, Z=2), were obtained serendipitously during chemical reactions. In all three modifications, the individual molecules possess significantly different conformations and bond parameters, such as Te–Te bond lengths, C–Te–Te bond angles, C–Te–Te–C torsion angles and intramolecular Menshutkin interactions, which is also reflected in their non-covalent interactions with adjacent molecules in the crystal lattice via London dispersion and electrostatic forces. The interplay between intermolecular and intramolecular forces in these conformational polymorphs was investigated using quantum chemical calculations, which reveal that the β-form should be thermodynamically stable at absolute zero. In contrast, crystallization experiments and thermoanalytical investigations indicate that the α-form is stable at high temperatures and therefore, both forms might be related by enantiotropism.


The Deutsche Forschungsgemeinschaft (DFG) is gratefully acknowledged for financial support (Emmy Noether program GR 4451/1-1). We thank Bartolomeo Civalleri (University of Turin) and Gabriele Saleh (Trinity College Dublin) for their help with Crystal14 and NCIMilano. Simon Grabowsky is indebted to Peter Luger for his generous support and mentoring. All of us salute him for his outstanding career in science pioneering modern crystallography.


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Supplementary Material

The online version of this article offers supplementary material (

Received: 2018-02-19
Accepted: 2018-07-19
Published Online: 2018-08-28
Published in Print: 2018-09-25

©2018 Walter de Gruyter GmbH, Berlin/Boston

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