H. Beckers et al., Difluorosilanethione F2Si=S by flash vacuum thermolysis of (F3Si)(2)S and by reaction of SiS with F-2 - Matrix studies and ab initio calculations, EUR J INORG, (11), 1999, pp. 2013-2019
Difluorosilanethione F2Si=S (1) has been synthesized by Flash Vacuum Pyroly
sis of (F3Si)(2)S at greater than or equal to 500 degrees C and trapped in
an Ar matrix. Furthermore, 1 has been obtained by codeposition of SiS and F
-2/Ar and by pyrolysis of a matrix-isolated SiS2-XeF2 complex under cryogen
ic conditions. All six vibrational fundamentals of 1 have been observed in
the matrix IR spectrum. Ab initio calculations at the MP2 and CCSD(T) level
s using large basis sets have been performed. These calculations have guide
d the detection of 1 and the vibrational assignment. The best estimate of t
he 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)degrees.