Structure and stability of MCl4 carbene complexes (M = Si, Ge, Sn): Experiment and theory

Davydova, E. and Balazs, G. and Bodensteiner, M. and Scheer, M. and Timoshkin, A. Y. (2023) Structure and stability of MCl4 carbene complexes (M = Si, Ge, Sn): Experiment and theory. JOURNAL OF ORGANOMETALLIC CHEMISTRY, 983: 122551. ISSN 0022-328X, 1872-8561

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Abstract

Toluene solvates of MCl(4)middotnI(Dipp) ( n = 1, M = Ge, Sn; n = 2, M = Sn) complexes have been synthesized and structurally characterized. Mass spectrometric studies indicate that upon heating complexes of a 1:1 composition MCl(4)middotI(Dipp) undergo sublimation and dissociation into the components, while a complex of 1:2 composition SnCl(4)middot2I(Dipp) does not exist in the gas phase. Thermal decomposition of MCl(4)middotI (Dipp) is ac-companied by H/Cl exchange by formation of C27H34Cl2N2 molecules. In contrast, upon decomposition or prolonged storage of SnCl(4)middot2I(Dipp) a chlorination of IDipp takes place by formation of C27H36Cl2N2. Experimental findings are in qualitative agreement with the results of DFT computations.

Item Type: Article
Uncontrolled Keywords: MOLECULAR-ORBITAL METHODS; METAL-COMPLEXES; BASIS-SETS; ELEMENTS; HALIDE; THERMOCHEMISTRY; CATALYSIS; SILICON; Group 14 element chlorides; N -heterocyclic carbene; Molecular complexes; Structure; Thermal stability; DFT computations
Subjects: 500 Science > 540 Chemistry & allied sciences
Divisions: Chemistry and Pharmacy > Institut für Anorganische Chemie
Depositing User: Dr. Gernot Deinzer
Date Deposited: 31 Jan 2024 09:10
Last Modified: 31 Jan 2024 09:10
URI: https://pred.uni-regensburg.de/id/eprint/57718

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