Reactivity of low-oxidation state tin compounds: an overview of the benefits of combining DFT Theory and experimental NMR spectroscopy

Author:

De Proft Frank1,Broeckaert Lies1,Turek Jan2,Růžička Aleš2,Willem Rudolph3

Affiliation:

1. Department of General Chemistry (ALGC), Vrije Universiteit Brussel (VUB), Pleinlaan 2, 1050 Brussels, Belgium.

2. Department of General and Inorganic Chemistry, Faculty of Chemical Technology, University of Pardubice, Studentská 573, 53210 Pardubice, Czech Republic.

3. Department of Materials and Chemistry (MACH), Vrije Universiteit Brussel (VUB), Pleinlaan 2, 1050 Brussels, Belgium.

Abstract

The reactivity and complexation properties of dicoordinated Sn(II) and Sn(0) compounds are reviewed. The (dominant) electrophilicity of the stannylenes was confirmed and quantified through density functional theory (DFT) based reactivity indices. For these compounds, combining theoretical DFT calculations and experimental nuclear magnetic resonance (NMR) spectroscopic results has evidenced their potential to undergo π-complexation from aromatic π clouds in addition to significantly stronger σ-complexation. Moreover, their potential as Lewis bases was scrutinized in their interactions and reactions with iron and tungsten carbonyl Lewis acids. Finally, a prospective comparison of the reactivity of divalent stannylenes and stannylones, with a 0 oxidation state at the Sn atom, is presented.

Publisher

Canadian Science Publishing

Subject

Organic Chemistry,General Chemistry,Catalysis

Reference149 articles.

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