- Vaporization of (SN)x: He I Photoelectron Spectrum and ab Initio Calculations for the S3N3 Radical
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The S3N3 radical, never previously characterized, is shown to be the major semistable component of the vaporization products of the (SN)x polymer, as identified by He I photoelectron spectroscopy and in situ quadrupole mass spectrometry.This species can be recondensed to yield the (SN)x polymer and other colored materials.Revaporization produces S3N3 in addition to S4N4, S4N2, and S2N2.Ab initio calculations with better than a double-ζ basis set and including configuration interaction provide evidence for a 2A2 radical with a planar ring geometry close to D3h.The ground-state cation also has a planar ring geometry with 3A2' favored over 1A1'.
- Lau, W. M.,Westwood, N. P. C.,Palmer, M. H.
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p. 3229 - 3237
(2007/10/02)
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- Synthesis and crystal structure of [(Ph3P)2(CO)2(S2N 2)RuCl]+AlCl4-. Preparation of novel S2N2 complexes
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The complex [(Ph3P)2(CO)2(S2N 2)RuCl]+AlCl4- has been prepared by the reaction of (Ph3P)2(CO)2RuCl2 with S2N2·2AlCl3, and its structure is determined by single-crystal X-ray analysis. It crystallizes in the monoclinic space group Cc with a = 10.365 (1) A?, b = 23.185 (5) A?, c = 18.361 (3) A?, β = 106.06 (1)°, and Z = 4. The structure was refined to R = 0.041, Rw = 0.038 for 3292 reflections with I ≥ 2.0(σ(I)). In the cation the S2N2 is coordinated as a monodentate ligand. A considerable degree of bond fixation is observed within the S2N2 ring possibly as a result of a relatively strong intramolecular S?Cl interaction of length 2.918 (4) A?. In addition complexes of S2N2 with SnCl4, TiCl4, AlBr3, and BeCl2 are prepared by various synthetic routes: the reaction of S(NSO)2 with TiCl4 leads to S2N2·TiCl4; cleavage of the eight-membered S4N4 ring occurs on heating S4N4·TiCl4 and S4N4·2BeCl2; S2N2 forms 1:1 adducts when it is added to excess SnCl4 or TiCl4. The vibrational spectra of the compounds are discussed.
- Roesky,Anhaus,Sheldrick
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- S4N4 and its Derivatives: Preparation, Structure and Thermolysis of CuBr*S4N4
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The crystalline black polymeric CuI complex CuBr*S4N4 can be prepared in high yield from Cu(NO3)2*3H2O, NH4Br and S4N4 in methanol.An X-ray structure analysis shows that it is isostructural with CuCl*S4N4.The crystals contain infinite chains and the Cu atoms of adjacent chains are bridged by S4N4 groups.The Cu atoms have an almost tetrahedral coordination.The 1,3-N,N'-bonded S4N4 group has the same conformation and, within narrow limits, the same dimensions as free S4N4.Thermolysis of CuBr*S4N4 at 180 deg C yields among other products CuBr, S4N4 and S2N2. - Key wor ds: Copper(I) Complex, Tetrasulfurtetranitrid Adduct, Disulfurdinitrid, Molecular Structure, Inorganic Polymer
- Thewalt, Ulf,Mueller, Bernhard
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p. 828 - 831
(2007/10/02)
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