13759-10-9Relevant articles and documents
Matrix IR Spectrum and ab Initio SCF Calculations of Molecular SiS2
Schnoeckel, Hansgeorg,Koeppe, Ralf
, p. 4583 - 4586 (1989)
In solid argon molecular SiS2 is generated by a reaction of SiS with S atoms.The antisymmetric stretching vibration νas(SiS) is observed at 918 cm-1.Bonding and structure (force constants from experimentally observed frequencies and results from ab initio SCF calculations) of SiS2 are compared with that of the similar molecules: CO, CS, CO2, COS, CS2, SiO, SiS, SiO2, and SiOS.
Difluorosilanethione F2Si=S by flash vacuum thermolysis of (F3Si)2S and by reaction of SiS with F2 - Matrix studies and ab initio calculations
Beckers, Helmut,Breidung, Ju?rgen,Bu?rger, Hans,Ko?ppe, Ralf,Ko?tting, Carsten,Sander, Wolfram,Schno?ckel, Hansgeorg,Thiel, Walter
, p. 2013 - 2019 (2007/10/03)
Difluorosilanethione F2Si=S (1) has been synthesized by Flash Vacuum Pyrolysis of (F3Si)2S at ≥ 500 °C and trapped in an Ar matrix. Furthermore, 1 has been obtained by codeposition of SiS and F2/Ar and by pyrolysis of a matrix-isolated SiS2-XeF2 complex under cryogenic conditions. All six vibrational fundamentals of 1 have been observed in the matrix IR spectrum. Ab initio calculations at the MP2 and CCSD(T) levels using large basis sets have been performed. These calculations have guided the detection of 1 and the vibrational assignment. The best estimate of the structure of 1 with C(2v) symmetry is: r(Si=S) 191.1(1) pm, r(SiF) 156.1(1) pm, angle(FSiF) 103.3(2)°.