The Infrared and Raman Spectra of Powdered and Single-Crystal Barium Chlorate Monohydrate and -deuterate

1973 ◽  
Vol 51 (14) ◽  
pp. 2275-2289 ◽  
Author(s):  
John E. Bertie ◽  
Anton M. Heyns ◽  
Oscar Oehler
Keyword(s):  
Water Vapor ◽  
Single Crystal ◽  
Raman Spectra ◽  
Far Infrared ◽  
Interaction Constant ◽  
Water Molecules ◽  
Infrared And Raman Spectra ◽  
Harmonic Force ◽  
Bending Modes ◽  
Far Infrared Spectra

The infrared and Raman spectra of polycrystalline and single-crystal Ba(ClO3)2•H2O and Ba(ClO3)2•D2O have been obtained. The observed bands have been assigned to the various Davydov components of the intramolecular modes and colattice modes. For the water molecule, all of the fundamentals of H2O, HDO, and D2O have been located, the anharmonicities of the bending modes have been determined, and those of the stretching modes are essentially the same as for water vapor. The intermolecular coupling is very weak. The effective harmonic force field for the water molecules has been calculated. The stretch–stretch interaction constant is much smaller than for water vapor, reflecting a smaller separation of the asymmetric and symmetric stretching modes. The intermolecular vibrations of the water molecules have been located. For the chlorate ions, in spite of the disorder due to the 37Cl, the spectra can be interpreted in terms of unit cell modes, albeit as a first approximation. The isotope shift of the symmetric Cl—O stretching mode appears to be unusually large. The far-infrared spectra have been tentatively assigned to translational and rotational vibrations involving the Ba2+ and ClO3− ions.

An infrared and Raman spectroscopic study of some Group 1B halide complexes containing an M4X4 core

1978 ◽  
Vol 31 (10) ◽  
pp. 2137 ◽  
Author(s):  
GA Bowmaker ◽  
RJ Knappstein ◽  
SF Tham
Keyword(s):  
Raman Spectra ◽  
Broad Band ◽  
Low Frequency ◽  
Far Infrared ◽  
Infrared And Raman Spectra ◽  
Intense Band ◽  
Raman Spectroscopic ◽  
Raman Spectroscopic Study ◽  
Halide Complexes ◽  
Far Infrared Spectra

The infrared and Raman spectra of [Et3PcuI]4 and [Et3AsCuI]4 have been measured, and bands have been assigned to vibrations of the ligand and of the Td Cu4I4 core. The far-infrared spectra show two strong T2 v(CuI) bands at about 90 and 140 cm-1, the higher frequency member of which has a Raman counterpart which shows possible longitudinal-transverse splitting. The Raman spectra also show an intense band at about 50 cm-1. Similar features have been observed in the low-frequency vibrational spectra of [Et2S]3 [CuI]4, [C5H5NcuI]4, [C5H11NAgI]4, [Et3PAgBr]4 and [Et3PagCl]4, although the last two compounds gave only a single broad band in the v(MX) region.

Far-infrared and Raman Spectra of Crystalline ICN

1971 ◽  
Vol 49 (14) ◽  
pp. 2459-2462 ◽  
Author(s):  
R. Savoie ◽  
M. Pézolet
Keyword(s):  
Raman Spectra ◽  
Infrared Spectra ◽  
High Frequency ◽  
Far Infrared ◽  
Infrared And Raman Spectra ◽  
Infrared Band ◽  
Longitudinal Modes ◽  
Intensity Measurements ◽  
Cyanogen Iodide ◽  
Far Infrared Spectra

The Raman and far-infrared spectra of crystalline cyanogen iodide have been recorded. High-frequency shoulders alongside the Raman bands confirm the piezoelectric nature of this solid and allow an estimate to be made of the frequencies of the longitudinal modes associated to the fundamental vibrations. Dipole derivatives calculated from these frequencies agree qualitatively with those obtained from infrared band intensity measurements.

Synthetic, Structural and Vibrational Spectroscopic Studies in Bismuth(III) Halide/N,N′-Aromatic Bidentate Base Systems. II Bipyridinium (2,2' Bipyridine) tetraholobismuthate (III) (Halogen = Chloride or Bromide)

1998 ◽  
Vol 51 (4) ◽  
pp. 311 ◽  
Author(s):  
Graham A. Bowmaker ◽  
Jack M. Harrowfield ◽  
Aaron M. Lee ◽  
Brian W. Skelton ◽  
Allan H. White
Keyword(s):  
Single Crystal ◽  
Raman Spectra ◽  
Room Temperature ◽  
Far Infrared ◽  
Spectroscopic Studies ◽  
Infrared And Raman Spectra ◽  
X Ray ◽  
Structure Determinations ◽  
Anionic Species

Syntheses and room-temperature single-crystal X-ray structure determinations are recorded for the title compounds, [bpyH]+[(bpy)BiX4]-, X = Cl, Br, the chloride being obtained in a second acetonitrile- sesquisolvated form. [bpyH]+[(bpy)BiX4]-, X = Cl, Br, are isomorphous, monoclinic C2/c, a ≈ 15·3, b ≈ 9·6, c ≈ 16·8 Å, β 109°, Z = 4, conventional R on |F| being 0·056, 0·059 for No 1456, 769 independent ‘observed’ (I > 3σ(I)) reflections respectively. [bpyH] [(bpy)BiCl4].1½MeCN is monoclinic, P21/m, a 9·572(2), b 34·521(8) c 8·218(2) Å, β 102·13(2)°, Z = 4, R 0·043 for No 2635. All anionic species are mononuclear, the bismuth being quasi-octahedral. Bands in the far-infrared and Raman spectra due to the vibrations of the N2BiCl4 core in [(bpy)BiCl4]- are assigned, and their relationship to the vibrations of [BiCl6]3- is discussed.

Syntheses, Structures and Vibrational Spectra of Some Dimethyl Sulfoxide Solvates of Bismuth(III) Bromide and Iodide

1998 ◽  
Vol 51 (4) ◽  
pp. 285 ◽  
Author(s):  
Graham A. Bowmaker ◽  
Jack M. Harrowfield ◽  
Peter C. Junk ◽  
Brian W. Skelton ◽  
Allan H. White
Keyword(s):  
Single Crystal ◽  
Dimethyl Sulfoxide ◽  
Raman Spectra ◽  
Vibrational Spectra ◽  
Room Temperature ◽  
Far Infrared ◽  
Infrared And Raman Spectra ◽  
X Ray

Room-temperature single-crystal X-ray studies are recorded for some dimethyl sulfoxide (dmso) solvates of bismuth(III) bromide and iodide. Colourless BiBr3.3dmso is triclinic, P-1, a 8·467(4), b 9·109(4), c 13·901(4) Å, α 76·34(4), β 76·95(4), γ 64·56(4)°, Z = 2; conventional R on |F| was 0·050 for No 2306 independent ‘observed’ (I > 3σ(I)) reflections. The complex is mononuclear with a quasi-octahedral fac-bismuth environment, [(dmso-O)3BiBr3], isomorphous with the previously determined chloride. Orange BiI3-2dmso is triclinic, P-1, a 12·558(2), b 8·962(2), c 8·342(1) Å, α 61·85(1), β 78·27(1), γ 76·89(2)°, Z = 2 f.u., R 0·048 for No 1953. The complex is binuclear, a pair of iodide atoms bridging the two bismuth atoms, [(dmso-O)2I2Bi(µ-I)2BiI2(O-dmso)2]; the two O-dmso ligands about each six-coordinate bismuth lie trans. Red BiI3.2 ⅔ dmso is triclinic, P-1, a 16·435(6), b 14·926(2), c 12·396(3) Å, α 74·89(2), β 73·24(2), γ 79·18(2)°, Z = 6, R 0·059 for No 5858. The complex is [Bi(O-dmso)8] [Bi2I9], the eight-coordinate metal environment of the cation being, unusually, dodecahedral; in the anion a pair of quasi-octahedral six-coordinate bismuth atoms are bridged by three iodides, [I3Bi(µ-I)3BiI3]3-. Bands in the far-infrared and Raman spectra due to the v(BiX) modes are assigned and discussed in relation to the structures of the complexes. The assignment of the v(BiO) modes is discussed.

Far-Infrared and Raman Spectra of Ammonium Fluoride and Ammonium Fluoride—d4

1970 ◽  
Vol 24 (1) ◽  
pp. 16-20 ◽  
Author(s):  
J. R. Durig ◽  
D. J. Antion
Keyword(s):  
Thin Films ◽  
Raman Spectra ◽  
Infrared Spectra ◽  
Low Frequency ◽  
Far Infrared ◽  
Ammonium Fluoride ◽  
Isotopic Shift ◽  
Lattice Vibrations ◽  
Infrared And Raman Spectra ◽  
Far Infrared Spectra

The far-infrared spectra of thin films of NH4F and ND4F and the Raman spectra of polycrystalline samples of both compounds have been recorded at −170°C. Two low-frequency lattice vibrations were observed in each spectrum and these have been assigned as optical translations on the basis of their isotopic shift factors. Librational modes were not observed in any of the spectra.

Die Zwillings-Kristallstruktur von Mg(BrO3)2 · 6H2O / The Crystal Structure of Twinned Mg(BrO3)2 · 6H2O

1996 ◽  
Vol 51 (8) ◽  
pp. 1072-1078 ◽  
Author(s):  
Stefan Peter ◽  
Ellen Suchanek ◽  
Dirk Eßer ◽  
Heinz Dieter Lutz
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Single Crystal ◽  
Raman Spectra ◽  
Water Molecules ◽  
Infrared And Raman Spectra ◽  
Single Crystal Diffraction ◽  
X Ray ◽  
Correlation Curve ◽  
Accidental Degeneracy

The crystal structure of Mg(BrO3)2·6H2O twinned crystals has been determined by X-ray single crystal diffraction (Pa3̅, a = 1039.56(9) pm). The structure is isomorphic to that of M(BrO3)2·6H2O(M = Co, Ni, Cu, Zn) and Ni(ClO3)2·6H2O. The Mg(BrO3)2·6H2O structure is related to fluorite, with Mg(H2O)62+ replacing Ca2+ and BrO3- replacing F-. The water molecules are involved in nearly linear hydrogen bonds to adjacent bromate ions (νOD of matrix isolated HDO: 2458 and 2453 cm-1). The intramolecular O-H distances 96.84 and 96.90 pm have been derived from the wavenumbers of the respective OD stretches using a recently established vOD vs. rOH correlation curve. The infrared and Raman spectra show accidental degeneracy of the symmetric and the asymmetric BrO stretching modes, which is common for bromate ions with local C3v symmetry.

Kristallstruktur und Schwingungsspektren des Di-Blei-Hexaselenohypodiphosphates Pb2P2Se6 / Crystal Structure and Vibrational Spectra of Pb2P2Se6

1984 ◽  
Vol 39 (4) ◽  
pp. 357-361 ◽  
Author(s):  
Robert Becker ◽  
Wolfgang Brockner ◽  
Herbert Schäfer
Keyword(s):  
Crystal Structure ◽  
Raman Spectra ◽  
Vibrational Spectra ◽  
Title Compound ◽  
Far Infrared ◽  
Infrared And Raman Spectra ◽  
Monoclinic System ◽  
Space Group ◽  
Lattice Constants

Pb2P2Se6 crystallizes in the monoclinic system, space group Pn (No. 13) with the lattice constantsa = 974.2 (4) pm. b = 766.2 (3) pm. c = 689.8 (3) pm, β=91.44(5)°.The title compound is isotypic to the homologous Pb2P2S6. In the structure there are discrete P2Se4-6 anions.Far infrared, infrared and Raman spectra of this compound have been recorded. The observed frequencies are assigned on the basis of P2Se4-6 units with C2h symmetry in the crystal. DTA-data have been determined and interpreted.

Far-infrared and Raman spectra of mixed HClDCl crystals

1981 ◽  
Vol 63 (3) ◽  
pp. 293-301 ◽  
Author(s):  
Jean-Claude Bureau ◽  
Louis-Claude Brunel
Keyword(s):  
Raman Spectra ◽  
Far Infrared ◽  
Infrared And Raman Spectra
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