A Stable Dimer of SiS2 Arranged between Two Carbene Molecules

作者：Mohapatra Chandrajeet; Mondal Kartik Chandra; Samuel Prinson P; Keil Helena; Niepoetter Benedikt; Herbst Irmer Regine; Stalke Dietmar^*; Dutta Sayan; Koley Debasis; Roesky Herbert W

来源：Chemistry - A European Journal, 2015, 21(36): 12572-+.

DOI：10.1002/chem.201502092

• density functional calculations
• main group chemistry
• silicon
• silylene
• sulfur activation

The Me-cAAC:-stabilized dimer of silicon disulfide (SiS2) has been isolated in the molecular form as (Me-cAAC:)(2)Si2S4 (2) at room temperature [Me-cAAC:=cyclic alkyl(amino) carbene]. Compound 2 has been synthesized from the reaction of (Me-cAAC:)(2)Si-2 with elemental sulfur in a 1:4 molar ratio under oxidative addition. This is the smallest molecular unit of silicon disulfide characterized by X-ray crystallography, electron ionization mass spectrometry, and NMR spectroscopy. Structures with three sulfur atoms arranged around a silicon atom are known; however, 2 is the first structurally characterized silicon-sulfur compound containing one terminal and two bridging sulfur atoms at each silicon atom. Compound 2 shows no decomposition after storing for three months in an inert atmosphere at ambient temperature. The bonding of 2 has been further studied by theoretical calculations.

• 出版日期2015-9-1