title: An Isolable Silicon Dicarbonate Complex from Carbon Dioxide Activation with a Silylone.
abstract: The first isolable molecular silicon dicarbonate complex (bis-NHC)Si(CO3)22 (bis-NHC=H2C[{NC(H)=C(H)N(Dipp)}C:]2, Dipp=2,6-iPr2C6H3) was synthesized by facile reaction of the bis-N-heterocyclic carbene stabilized silylone (bis-NHC)Si 1, bearing a zero-valent silicon atom, with carbon dioxide. The monomeric silicon dioxide complex (bis-NHC)SiO23 supported by the bis-NHC ligand was proposed as a key intermediate resulting from double oxygenation of the zero-valent silicon atom in 1 by two molar equivalents of CO2under liberation of CO; its subsequent Lewis acid-base reaction with CO2leads to 2 which has been fully characterized including an single-crystal X-ray diffraction analysis. Its electronic structure, spectroscopic data and the thermochemistry of the formation have been studied quantum-chemically.
authors.affiliation: Department of Chemistry, Metalorganics and Inorganic Materials, Technische Universität Berlin, Strasse des 17. Juni 135, Sekr. C2, 10623, Berlin, Germany.
authors.forename: Alexander
authors.initials: A
authors.lastname: Burchert
authors.affiliation: Department of Chemistry, Metalorganics and Inorganic Materials, Technische Universität Berlin, Strasse des 17. Juni 135, Sekr. C2, 10623, Berlin, Germany.
authors.forename: Shenglai
authors.initials: S
authors.lastname: Yao
authors.affiliation: Department of Chemistry: Theoretical Chemistry, Technische Universität Berlin, Strasse des 17. Juni 135, Sekr. C7, 10623, Berlin, Germany.
authors.forename: Robert
authors.initials: R
authors.lastname: Müller
authors.forename: Caspar
authors.initials: C
authors.lastname: Schattenberg
authors.affiliation: Department of Chemistry, Metalorganics and Inorganic Materials, Technische Universität Berlin, Strasse des 17. Juni 135, Sekr. C2, 10623, Berlin, Germany.
authors.forename: Yun
authors.initials: Y
authors.lastname: Xiong
authors.affiliation: Department of Chemistry: Theoretical Chemistry, Technische Universität Berlin, Strasse des 17. Juni 135, Sekr. C7, 10623, Berlin, Germany.
authors.forename: Martin
authors.initials: M
authors.lastname: Kaupp
authors.affiliation: Department of Chemistry, Metalorganics and Inorganic Materials, Technische Universität Berlin, Strasse des 17. Juni 135, Sekr. C2, 10623, Berlin, Germany.
authors.forename: Matthias
authors.identifier: 0000-0002-9873-4103
authors.initials: M
authors.lastname: Driess
keywords: CO2 activation; carbonates; main group chemistry; silicon; silylone