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Zeitschrift für Kristallographie - Crystalline Materials

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Volume 233, Issue 9-10

Issues

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

Simon Grabowsky
  • Corresponding author
  • Institut für Anorganische Chemie und Kristallographie, Universität Bremen, Leobener Straße 3 und 7, 28359 Bremen, Germany
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/ Ole Mallow
  • Institut für Anorganische Chemie und Kristallographie, Universität Bremen, Leobener Straße 3 und 7, 28359 Bremen, Germany
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/ Rumpa Pal
  • Institut für Anorganische Chemie und Kristallographie, Universität Bremen, Leobener Straße 3 und 7, 28359 Bremen, Germany
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/ Yves Pergandé
  • Institut für Anorganische Chemie und Kristallographie, Universität Bremen, Leobener Straße 3 und 7, 28359 Bremen, Germany
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/ Enno Lork
  • Institut für Anorganische Chemie und Kristallographie, Universität Bremen, Leobener Straße 3 und 7, 28359 Bremen, Germany
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/ Christian Näther
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  • Institut für Anorganische Chemie, Christian-Albrechts-Universität zu Kiel, Max-Eyth-Str. 2, 24118 Kiel, Germany
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/ Jens Beckmann
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  • Institut für Anorganische Chemie und Kristallographie, Universität Bremen, Leobener Straße 3 und 7, 28359 Bremen, Germany
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Published Online: 2018-08-28 | DOI: https://doi.org/10.1515/zkri-2018-2077

Abstract

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.

This article offers supplementary material which is provided at the end of the article.

Keywords: conformational polymorphism; crystal modifications; crystal packing; London dispersion; tellurium

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About the article

Received: 2018-02-19

Accepted: 2018-07-19

Published Online: 2018-08-28

Published in Print: 2018-09-25


Citation Information: Zeitschrift für Kristallographie - Crystalline Materials, Volume 233, Issue 9-10, Pages 707–721, ISSN (Online) 2196-7105, ISSN (Print) 2194-4946, DOI: https://doi.org/10.1515/zkri-2018-2077.

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