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

Grabowsky, Simon; Mallow, Ole; Pal, Rumpa; Pergandé, Yves; Lork, Enno; Näther, Christian; Beckmann, Jens (2018). Conformational trimorphism of bis(2,6-dimesitylphenyl)ditelluride. Zeitschrift für Kristallographie - Crystalline Materials, 233(9-10), pp. 707-721. De Gruyter 10.1515/zkri-2018-2077

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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

Item Type:

Journal Article (Original Article)

Division/Institute:

08 Faculty of Science > Departement of Chemistry and Biochemistry

UniBE Contributor:

Grabowsky, Simon

Subjects:

500 Science > 570 Life sciences; biology
500 Science > 540 Chemistry

ISSN:

2194-4946

Publisher:

De Gruyter

Language:

English

Submitter:

Simon Grabowsky

Date Deposited:

06 Feb 2020 12:06

Last Modified:

06 Feb 2020 12:06

Publisher DOI:

10.1515/zkri-2018-2077

BORIS DOI:

10.7892/boris.138406

URI:

https://boris.unibe.ch/id/eprint/138406

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