- Matrix IR Spectrum and ab Initio SCF Calculations of Molecular SiS2
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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.
- Schnoeckel, Hansgeorg,Koeppe, Ralf
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- Targeted synthesis of uranium(IV) thiosilicates
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Two new uranium(IV) thiosilicates, Cs2Na4[U2(SiS4)2(Si2S8)] and Cs2.12Na3.88[U2(SiS4)2(Si2S7)], were obtained by flux crystal growth using SiS2 as a silicon source. The former compound contains a novel Si2S86- unit that features a terminal persulfide group. The magnetic susceptibility measurements performed on this compound revealed paramagnetic behavior with a moment of 3.49 μB per uranium atom as obtained from a Curie-Weiss law fit and showed no magnetic transition down to 2 K. The structures are based on closely related isomeric planar and 3D topologies that can be transformed into one another by a rotation of the structural units.
- Klepov, Vladislav V.,Smith, Mark D.,Zur Loye, Hans-Conrad
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supporting information
p. 8275 - 8278
(2019/08/20)
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- Difluorosilanethione F2Si=S by flash vacuum thermolysis of (F3Si)2S and by reaction of SiS with F2 - Matrix studies and ab initio calculations
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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)°.
- Beckers, Helmut,Breidung, Ju?rgen,Bu?rger, Hans,Ko?ppe, Ralf,Ko?tting, Carsten,Sander, Wolfram,Schno?ckel, Hansgeorg,Thiel, Walter
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p. 2013 - 2019
(2007/10/03)
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- Raman spectrum and bonding of matrix isolated, molecular silicon disulfide
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By means of a reaction between the high-temperature molecules SiS and Si atoms within a me than matrix molecular SiS2 is obtained, which has been characterized via the symmetric stretching mode at 514 cm-1 in the Raman spectrum. SiS2 and SiS are discussed with respect to multiple bonding by a comparison with the similar carbon sulfids CS and CS2 on the basis of quantum chemical calculations including the results of vibrational spectroscopy.
- Friesen,Schn?ckel
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p. 1097 - 1100
(2008/10/08)
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