Structural study of chlorine pentafluoride in the condensed phases

1978 ◽  
Vol 56 (10) ◽  
pp. 1353-1357 ◽  
Author(s):  
M. Drifford ◽  
R. Rousson ◽  
J. M. Weulersse
Keyword(s):  
Raman Spectrum ◽  
Neutron Diffraction ◽  
Raman Spectra ◽  
Vibrational Spectra ◽  
Room Temperature ◽  
Condensed Phases ◽  
Body Centered Cubic ◽  
X Ray ◽  
Solid Phases ◽  
Diffraction Patterns

Raman spectra of chlorine pentafluoride have been investigated in the condensed phases between room temperature and 4 K. X-Ray and neutron diffraction patterns were also recorded. The three solid phases previously described by nmr measurements have been characterised. Solid 1(161 K < T < 181 K) is body-centered cubic with a = 5.7 Å; its Raman spectrum is quite comparable with that of the liquid. Solid II (117 K < T < 161 K) is orthorhombic with a = 6.17 Å, b = 7.22 Å; c = 7.66 Å; according to the Raman spectra its structure seems to be similar to that of solid BrF5. The structure of solid III (T < 117 K) has not been determined; however, the vibrational spectra show that it is not very different from solid II.The analogy between the structures of the tri- and pentafluorides of chlorine and bromine is discussed.

The Vibrational Spectra and Crystal Structure of Acenaphthylene

1973 ◽  
Vol 51 (3) ◽  
pp. 402-404 ◽  
Author(s):  
A. Bree ◽  
R. A. Kydd ◽  
V. V. B. Vilkos ◽  
R. S. Williams
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Raman Spectra ◽  
Vibrational Spectra ◽  
Room Temperature ◽  
Infrared And Raman Spectra ◽  
Depolarization Ratio ◽  
X Ray

A study of the polarized infrared and Raman spectra of acenaphthylene single crystals has been made. These results, together with Gordon and Yang's preliminary X-ray work, suggest that the molecules pack in some disordered arrangement in the solid at room temperature. Most of the A1 fundamentals were identified in the Raman solution spectrum from their low depolarization ratio, and a few tentative assignments of nontotally symmetric fundamentals were made.

Infrared and Raman Spectra of Bis(Melaminium) Sulfate Dihydrate

2003 ◽  
Vol 2003 (8) ◽  
pp. 518-521 ◽  
Author(s):  
M.K. Marchewka
Keyword(s):  
Raman Spectra ◽  
Vibrational Spectra ◽  
Crystalline State ◽  
Room Temperature ◽  
Spectral Features ◽  
Infrared And Raman Spectra ◽  
X Ray ◽  
Internal Vibrations

Room temperature powder infrared and Raman measurements for the new melaminium salt, bis(2,4,6-triamino-1,3,5-triazin-1-ium) sulfate dihydrate, 2C3H7N6+·SO42-·2H2O, in the crystalline state, were carried out. The vibrational spectra in the region of internal vibrations of the ions corroborate recent X-ray data of Janczak et al. Some spectral features of this new crystal are referred to those of other crystalline melaminium salts.

Darstellung, Schwingungsspektren und Normalkoordinatenanalysen der Dioxoosmate(VI) trans-[OsO2(CN)2(ox)]2-, transs-[OsO2(CN)2(mal)]2- und trans-[OsO2(CN)2(N2H2C2O2)]2- / Synthesis, Vibrational Spectra and Normal Coordinate Analysis of the Dioxoosmates(VI) frans-[OsO2(CN)2(ox)]2- , trans-[OsO2 (CN)2(mal)]2- and trans-[OsO2 (CN)2(N2H2C2O2)]2-

1999 ◽  
Vol 54 (9) ◽  
pp. 1116-1121
Author(s):  
A. Strueß ◽  
W. Preetz
Keyword(s):  
Aqueous Solution ◽  
Oxalic Acid ◽  
Raman Spectra ◽  
Malonic Acid ◽  
Vibrational Spectra ◽  
Room Temperature ◽  
Normal Coordinate ◽  
X Ray ◽  
Ir And Raman

By careful acidification of the aqueous solution of trans-K2[OsO2(OH)4] in the presence of the required amount of cyanide ions with oxalic acid, malonic acid or oxamide the osmyl complexes trans-[OsO2(CN)2(ox)]2- (1), trans-[OsO2(CN)2(mal)]2- (2) und trans-[OsO2(CN)2(N2H2C2O2)]2- (3) are formed. The IR and Raman spectra of the (n-Bu4N) and (Et4N) salts of 1, 2 und 3 were measured at room temperature. Based on the molecular parameters of the X-ray determination of related complexes normal coordinate analyses have been performed and the vibrations were assigned. The valence force constants are fd(C≡N ) = 16.95, fd(Os=O) = 6.68 - 6.70, fd(Os-O) = 2.55 - 2.60, fd(Os-C) = 2.55 and fd(Os-N) = 2.30 mdyn/Å. For the chelate ligands, fd(C =0) ranges from 11.03 - 11.15, fd(C-O/N) from 4.86 - 5.05 and fd(C-C) from 4.07 - 4.70 mdyn/Å.

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.

Vibrational Spectra and Normal Coordinate Analysis of Disulfuryl Difluoride S2O5F2 and Diselenonyl Difluoride Se2O5F2

1993 ◽  
Vol 58 (3) ◽  
pp. 517-529 ◽  
Author(s):  
Jiří Toužín ◽  
Miloš Černík
Keyword(s):  
Raman Spectrum ◽  
Force Field ◽  
Raman Spectra ◽  
Infrared Spectra ◽  
Vibrational Spectra ◽  
Room Temperature ◽  
Normal Coordinate Analysis ◽  
Normal Coordinate ◽  
Valence Force Field ◽  
Overlapping Bands

Raman spectra (1 600 - 100 cm-1) of liquid S2O5F2 and Se2O5F2 and infrared spectra of liquid and gaseous S2O5F2 were measured. A modified general valence force field was used for their interpretation by normal coordinate analysis. Refinement of the number of lines in the Raman spectrum of S2O5F2 by means of numerical separation of the overlapping bands led to the conclusion that liquid S2O5F2 consists at least of three rotamers at room temperature.

Chalkogenides of the transition elements. VI. X-Ray, neutron, and magnetic investigation of the spinels Co3O4, NiCo2O4, Co3S4, and NiCo2S4

1968 ◽  
Vol 46 (22) ◽  
pp. 3463-3476 ◽  
Author(s):  
Osvald Knop ◽  
K. I. G. Reid ◽  
Sutarno ◽  
Yasuaki Nakagawa
Keyword(s):  
Neutron Diffraction ◽  
High Spin ◽  
Room Temperature ◽  
Spin States ◽  
Transition Elements ◽  
Thermal Stabilities ◽  
Magnetization Measurements ◽  
X Ray ◽  
Magnetic Investigation ◽  
Diffraction Patterns

The crystal structures of the spinels Co3O4, NiCo2O4, Co3S4, and NiCo2S4 were refined from X-ray and neutron powder data. Their lattice parameters at room temperature and the positional parameters of the oxygen and sulfur atoms were: Co3O4, 8.0835 ± 6 Å, 0.2640 ± 8; NiCo2O4, 8.114 ± 14 Å, 0.2583 ± 34; Co3S4, 9.4055 ± 12 Å, 0.2591 ± 5; NiCo2S4, 9.3872 ± 7 Å, 0.2591 ± 3. The thermal stabilities of the two oxides in air and in oxygen at 1 atm were investigated by thermogravimetric analysis and differential thermal analysis, and the magnetization of NiCo2O4 was measured down to 4.2 °K in fields up to 11.70 kOe. From neutron diffraction NiCo2O4. was found to be inverse, while NiCo2S4 was shown to be normal. The results of the magnetization measurements and the neutron-diffraction patterns at 111 and 393 °K were found to be equally consistent with the magnetic structure proposed for NiCo2O4 by Blasse, Co2+[Ni3+Co3+]O4 (Co2+ in a high-spin and Ni3+ andCo3+ in low-spin states), and with Co3+[Ni2+Co3+]O4 (Co3+ in 8(a) in a high-spin and Co3+ in 16(d) in a low-spin state). The sublattice magnetizations were not completely aligned even at 4.2 °K; the net magnetic moment derived from the magnetization measurements was only 1.25 μB, which is lower than the value of 2 μB expected from either model. At 111 °K the moments of the ions in the tetrahedral and octahedral sites were estimated to be 1.9 ± 0.2 and −0.5 ± 0.1 bohr magnetons respectively.

Structure and vibrational spectra of copper(II) 2-pyridylmethanolate tetrahydrate

2014 ◽  
Vol 68 (7) ◽  
Author(s):  
Anton Gatial ◽  
Marcela Múdra ◽  
Ján Moncoľ ◽  
Marta Danková ◽  
Peter Lönnecke ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Quantum Chemical Calculations ◽  
Raman Spectra ◽  
Structure Data ◽  
Vibrational Spectra ◽  
Quantum Chemical ◽  
Room Temperature ◽  
Temperature Synthesis ◽  
X Ray ◽  
Ir And Raman

AbstractIn the memory of Prof. Ing. Ladislav Valko, DrSc. (1930–2013) A room-temperature synthesis of copper(II) 2-pyridylmethanolate tetrahydrate, [CuL2] · 4H2O, with nearly quantitative yields with its structure redetermined at 213 K is presented. In agreement with the X-ray structure data, the DFT quantum-chemical calculations confirmed the planar structure of CuL2 (C 2h symmetry). The measured IR and Raman spectra were interpreted using the DFT calculations and some erroneous assignments in the previous studies have been corrected.

Physical and Mechanical Properties of Cement Paste Were Used Partially with Fly Ash and Kaolin Waste

2017 ◽  
Vol 866 ◽  
pp. 199-203
Author(s):  
Chidchanok Chainej ◽  
Suparut Narksitipan ◽  
Nittaya Jaitanong
Keyword(s):  
Mechanical Properties ◽  
Fly Ash ◽  
Room Temperature ◽  
Physical And Mechanical Properties ◽  
Partial Replacement ◽  
X Ray Diffraction ◽  
X Ray ◽  
Lime Water ◽  
Diffraction Patterns ◽  
Iron Mold

The aims of this research were study the microstructures and mechanical properties for partial replacement of cement with Fly ash (FA) and kaolin waste (KW). Ordinary Portland cement were partially replaced with FA and KW in the range of 25-35% and 10-25% by weight of cement powder. The kaolin waste was ground for 180 minutes before using. The specimen was packing into an iron mold which sample size of 5×5×5 cm3. Then, the specimens were kept at room temperature for 24 hours and were moist cured in the incubation lime water bath at age of 3 days. After that the specimens were dry cured with plastic wrap at age of 3, 7, 14 and 28 days. After that the compounds were examined by x-ray diffraction patterns (XRD) and the microstructures were examined by scanning electron microscopy (SEM). The compressive strength was then investigated.

X-Ray Diffraction Study of Hep Metals. I. Line Broadening in Polycrystalline Cd Powder

1974 ◽  
Vol 29 (12) ◽  
pp. 1771-1777 ◽  
Author(s):  
N. C. Haider ◽  
S. H. Hunter
Keyword(s):  
Room Temperature ◽  
Small Deformation ◽  
Correction Factors ◽  
Line Broadening ◽  
X Ray Diffraction ◽  
Fault Probability ◽  
Large Particle Size ◽  
X Ray ◽  
Melting Temperatures ◽  
Diffraction Patterns

Powder Cd of 99.999% purity was prepared at room temperature (25 °C) and x-ray diffraction patterns were obtained using CuKaα radiation with Ni-filter. The line broadening was analyzed after incorporating the appropriate correction factors. At room temperature Cd was found to have large particle size (653 A), small root mean square strain (.001), small deformation fault probability a (.003). and negligible growth fault probability β(0). Compared to other hep metals which have been studied earlier and which have higher melting temperatures, metal Cd is much less affected by mechanical deformation at room temperature.

Calcium Carbodiimide Compounds Revisited – Syntheses, Single Crystal Structure Determination and Vibrational Spectra of Ca11N6[CN2]2, Ca4N2[CN2] and Ca[CN2]

2008 ◽  
Vol 63 (5) ◽  
pp. 530-536 ◽  
Author(s):  
Olaf Reckeweg ◽  
Francis J. DiSalvo
Keyword(s):  
Crystal Structure ◽  
Raman Spectrum ◽  
Single Crystal ◽  
Single Crystals ◽  
Vibrational Spectra ◽  
Structure Determination ◽  
X Ray ◽  
Characteristic Features ◽  
Reported Data ◽  
Correct Data

Single crystals of Ca11N6[CN2]2 (dark red needles, tetragonal, P42/mnm (no. 136), a = 1456.22(5), and c = 361.86(2) pm, Z = 2), Ca4N2[CN2] (transparent yellow needles, orthorhombic, Pnma (no. 62), a = 1146.51(11), b = 358.33(4), and c = 1385.77(13) pm, Z = 4) and Ca[CN2] (transparent, colorless, triangular plates, rhombohedral, R3̅m (no. 166), a = 369.00(3), and c = 1477.5(3) pm, Z = 3) were obtained by the reaction of Na2[CN2], CaCl2 and Ca3N2 (if demanded by stoichiometry) in arc-welded Ta ampoules at temperatures between 1200 - 1400 K. Their crystal structures were re-determined by means of single crystal X-ray structure analyses. Additionally, the Raman spectra were recorded on these same single crystals, whereas the IR spectra were obtained with the KBr pellet technique. The title compounds exhibit characteristic features for carbodiimide units with D∞h symmetry (d(C-N) = 121.7 - 123.8 pm and ∡ (N-C-N) = 180°). The vibrational frequencies of these units are in the expected range (Ca11N6[CN2]2: νs = 1230, νs = 2008; δ = 673/645/624 cm−1; Ca4N2[CN2]: νs = 1230, νs = 1986; δ = 672/647 cm−1; Ca[CN2]: νs = 1274, νs = 2031, δ = 668 cm−1). The structural results are more precise than the previously reported data, and with the newly attained Raman spectrum of Ca11N6[CN2]2 we correct data reported earlier.

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