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Table · dataset · 2025

Data for "Aldehyde Hydrosilylation with Ethylzinc Complexes of Bulky β‐Thioketiminate Ligands"

Listed in ZivaHub and Deakin Research Online and HKU DataHub and DaYta Ya Rona and figshare and Loughborough Research Repository and UP Research Data Repository — shown once because both records carry DOI 10.25392/leicester.data.29574776

<p dir="ltr">The synthesis of a novel <i>β</i>-thioketiminate ligand, H-SacNac<sup>Ar*</sup> (<b>3</b>), featuring a bulky 2,6-bis(benzhydryl)-4-methylphenyl substituent, and its zinc ethyl complex [(SacNac<sup>Ar*</sup>)ZnEt] (<b>4</b>), is reported.

Description

Complex <b>4</b> catalyzes the hydrosilylation of benzaldehyde with PhSiH<sub>3</sub>, showing enhanced activity relative to the less bulky analogue [(SacNac<sup>Dipp</sup>)ZnEt] <b>2</b>, particularly upon addition of MeOH as an activator.

Under these conditions, <b>4</b> exhibits high selectivity toward dialkoxysilane product (<b>B),</b> over monoalkoxysilane (<b>A</b>) or trialkoxysilane (<b>C</b>) products. Density functional theory calculations support a mechanism involving precatalyst activation by MeOH to form a zinc alkoxide intermediate, followed by <i>σ</i>-bond metathesis with PhSiH<sub>3</sub> affording a catalytically active zinc hydride complex.

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The results highlight the role of ligand sterics and alcohol activators in tuning catalytic activity and offer insights into the design of new zinc-based hydrosilylation catalysts.</p>

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Where it is published

Catalogue records · 1

Topics

Inferred from text
Density functional theory 75%
Provenance · 7 source records, 54 field assertions
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ZivaHuboai:figshare.com:article/3072041610 d agoJSON v1
Deakin Research Onlineoai:figshare.com:article/3072041610 d agoJSON v1
HKU DataHuboai:figshare.com:article/3072041610 d agoJSON v1
DaYta Ya Ronaoai:figshare.com:article/3072041610 d agoJSON v1
figshareoai:figshare.com:article/307204169 d agoJSON v1
Loughborough Research Repositoryoai:figshare.com:article/307204169 d agoJSON v1
UP Research Data Repositoryoai:figshare.com:article/307204169 d agoJSON v1
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