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

Citation
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
Citations number
55
Categorie Soggetti
Inorganic & Nuclear Chemistry
Journal title
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
ISSN journal
14341948 → ACNP
Issue
11
Year of publication
1999
Pages
2013 - 2019
Database
ISI
SICI code
1434-1948(199911):11<2013:DFBFVT>2.0.ZU;2-K
Abstract
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.