- Microwave Spectrum for Bromo(sulfido)boron, BrBS
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The rotational spectrum of the transient molecule bromo(sulfido)boron, BrB=S, has been observed.The molecule was produced by high-temperature reaction between gaseous dibromo disulphide, Br2S2, and crystalline boron chips at ca. 1000 deg C, and was studied by microwave spectroscopy between 26.5 and 40 GHz.The spectrum is that of a linear molecule.Ground-state rotation, distortion and quadrupole coupling constants have been obtained for 10 of the 12 isotopic variants in natural abundance.A wealth of spectroscopic data has been obtained which has allowed an extremely detailed structure analysis to be performed.The resulting bond lengths are ρs(BrB) = 1.831(2) Angstroem and ρs(B=S) = 1.608(2) Angstroem.Transitions due to vibrationally excited states have also been measured and analysed to yield a range of vibration-rotation parameters.
- Cooper, Terrence A.,Firth, Steven,Kroto, Harold W.
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- Photoelectron Spectra of Sulphidoborons XBS where X = H, F, Cl, or Br
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The photoelectron spectrum of the unstable new sulphidoboron BrBS has been obtained together with new refined measurements on HBS and ClBS.These new data have enabled the series of molecules XBS (X = H, F, Cl, or Br) to be compared so that general trends in the ionisation energies can be investigated as a function of the substituent X.Self consistent field molecular-orbital calculations with a double-zeta basis set have been used to assist in the assignment of the bands in the photoelectron spectra.
- Suffolk, Roger J.,Cooper, Terry A.,Pantelides, Evangelos,Watts, John D.,Kroto, Harold W.
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p. 2041 - 2046
(2007/10/02)
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- Crystal Structures of Compounds A2X2 (A = S, Se; X = Cl, Br)
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The crystal structures of compounds A2X2 (A = S, Se; X = Cl, Br) contain molecules X-A-A-X with dihedral angles between 83.9 deg and 87.4 deg.Three different types of molecular packing are realized: S2Cl2, S2Br2 (α-Se2Br2) and β-Se2Br2(Se2Cl2).Details of molecular geometries as well as crystal structures are discussed. - Keywords: Sulfur(I) Halides, Selenium(I) Halides, Crystal Structure
- Kniep, Ruediger,Korte, Lutz,Mootz, Dietrich
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