- The microwave spectrum and structure of bromine thiocyanate, BrSCN
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The microwave spectra of 79BrSCN and 81BrSCN have been measured and analysed to give rotational, centrifugal distorsion, and Br quadrupole coupling constants.The molecule has been shown unambiguously to be BrSCN rather than BrNCS.A harmonic force field has been determined from combined vibrational and distorsion data.With structural parameters for the SCN chain transferred from S(CN)2, both effective and ground state average values for the BrS length and BrSC angle have been estimated.The Br quadropole tensor haas been diagonalized, and the BrS bond is shown not to be bent.
- Jemson, H. M.,Lewis-Bevan, W.,Gerry, M. C. L.
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p. 2478 - 2488
(2007/10/02)
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- THE INFRARED SPECTRA OF THE HALOGEN ISOCYANATE AND THIOCYANATE VAPOR MOLECULES
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Fourier transform infrared spectroscopy has been used to investigate the IR spectra of the XNCO (X = Cl, Br, I, CN), the XSCN (X = Cl, Br, I) and the NCNCS vapor molecules from 4800 to 400 cm-1.Vibrational frequencies have been determined for e
- Devore, T. C.
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p. 287 - 304
(2007/10/02)
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- Preparation and HeI Photoelectron Spectra of the Halogen Thiocyanates, XSCN (X=Cl and Br)
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The unstable chlorine and bromine thiocyanate molecules have been generated in the gas phase by reaction of AgSCN (solid) or (SCN)2 (gas) with molecular chlorine or bromine, respectively.ISCN does not appear to be formed by this route.The structures are established as nonlinear X-S-C(*)N molecules, and the observed HeI photoelectron spectra are assigned on this basis with the assistance of minimal basis ab initio calculations.The electronic structures of these molecules lie between those of SX2 and S(CN)2; the chemical behavior suggests an analogy with the interhalogen compounds.
- Frost, D.C.,MacDonald, C.B.,McDowell, C.A.,Westwood, N.R.C.
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p. 4423 - 4427
(2007/10/02)
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- Bromothiocyanation of Alkenes
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Treatment of alkenes with "thicyanogen bromide" prepared from equimolar amounts of bromine and thallium (1) thiocyanate in wet chloroform, gives moderate to high yields of vic-bromothiocyanates.The addition proceeds by an ionic mechanism involving nucleophilic attack of bromide ion on anS-cyanothiiranium cation.Unlike vic-iodothiocyanates, the vic-bromothiocyanates are not readily isomerized to the corresponding vic-halogenoisothiocyanates.
- Cambie, Richard C.,Larsen, David S.,Rutledge, Peter S.,Woodgate, Paul D.
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