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Tin…oxygen tetrel bonding: a combined structural, spectroscopic and computational study

Ullah, Hussain, Twamley, Brendan, Waseem, Amir, Khawar Rauf, Muhammed, Tahir, Muhammad Nawaz, Platts, James A and Baker, Robert J. 2017. Tin…oxygen tetrel bonding: a combined structural, spectroscopic and computational study. Crystal Growth and Design 17 (7) , pp. 4021-4027. 10.1021/acs.cgd.7b00678

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A series of R2Sn (R = Me, Ph) complexes of the Schiff’s base salicylaldehyde acyldihydrazone with a methylene spacer of variable length have been structurally characterized in order to explore the prevalence of Sn…O non-covalent interactions. Structural studies show that these can exist, with the shortest Sn…O distance of 3.480(2) Å in this library of compounds, significantly shorter than the sum of the van der Waals radii (3.92 Å). Crystallographic studies also show that steric effects are important and these interactions are seen only for compounds with Me2Sn whilst they are not observed for Ph2Sn. However this is not simply a steric effect and C—H…O interactions can compete with these Sn…O interactions. A computational study, in combination with QTAIM, shows that these interactions are mostly electrostatic in origin with little evidence of covalency.

Item Type: Article
Date Type: Publication
Status: Published
Schools: Advanced Research Computing @ Cardiff (ARCCA)
Subjects: Q Science > QD Chemistry
Publisher: American Chemical Society
ISSN: 1528-7483
Date of First Compliant Deposit: 21 June 2017
Date of Acceptance: 12 June 2017
Last Modified: 12 Jun 2018 02:07

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