Chloropentaphenyldisiloxane—Model Study on Intermolecular Interactions in the Crystal Structure of a Monofunctionalized Disiloxane

Chemistry

Tobias Götz¹  JonathanO. Bauer¹ 

[1] Institut für Anorganische Chemie, Fakultät für Chemie und Pharmazie, Universität Regensburg, Universitätsstraße 31, D-93053 Regensburg, Germany;

关键词: disiloxanes;    intermolecular interactions;    Hirshfeld surface analysis;    molecular models;    silicon;    X-ray crystallography;   

DOI  :  10.3390/chemistry3020033

来源: DOAJ

【 摘 要 】

Small functional siloxane units have gained great interest as molecular model systems for mimicking more complex silicate structures both in nature and in materials chemistry. The crystal structure of chloropentaphenyldisiloxane, which was synthesized for the first time, was elucidated by single-crystal X-ray diffraction analysis. The molecular crystal packing was studied in detail using state-of-the-art Hirshfeld surface analysis together with a two-dimensional fingerprint mapping of the intermolecular interactions. It was found that the phenyl C–H bonds act as donors for both weak C–H···π and C–H···Cl hydrogen bond interactions. The influence of intramolecular Si–O–Si bond parameters on the acceptor capability of functional groups in intermolecular hydrogen bond interactions is discussed.

【 授权许可】

Unknown