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.

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.

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.

scholarly journals Structural Data and Vibrational Spectra of the Copper(II) Complex of L-Selenomethionine

2005 ◽  
Vol 60 (6) ◽  
pp. 663-666 ◽  
Author(s):  
Enrique J. Baran
Keyword(s):  
Amino Acid ◽  
Raman Spectra ◽  
Vibrational Spectra ◽  
Structural Data ◽  
Crystallographic Data ◽  
Ir And Raman Spectra ◽  
X Ray ◽  
Structural Analogy ◽  
Ir And Raman ◽  
Related Complex

A Cu(II) complex of the amino acid L-selenomethionine of stoichiometry Cu(L-SeMet)2, has been prepared and characterized. Crystallographic data were obtained by means of X-ray powder diffractometry and showed that the compound is isostructural with the related complex of L-methionine, Cu(L-Met)2. The structural analogy is also supported by the analysis of the IR and Raman spectra of the complex, which are briefly discussed in comparison with those of free L-selenomethionine.

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.

Kristallstrukturen, Schwingungsspektren und Normalkoordinaten- analysen von trans-[OsO2(ox)2]2– und trans-[OsO2(mal)2]2–/ Crystal Structures, Vibrational Spectra and Normal Coordinate Analyses of trans-[OsO2(ox)2]2– and trans -[OsO2(mal)2]2–

1998 ◽  
Vol 53 (8) ◽  
pp. 823-828 ◽  
Author(s):  
A. Strueß ◽  
W. Preetz
Keyword(s):  
Crystal Structures ◽  
Vibrational Spectra ◽  
Room Temperature ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Normal Coordinate ◽  
Triclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Ir And Raman

Abstract The crystal structures of trans-(Ph4P)2[OsO2(ox)2] (monoclinic, space group P21/n, a = 12.281(2), b = 14.5440(13), c = 13.9810(12) Å, β = 100.000(8)°, Z = 2) and trans- (n-Bu4N)2[OsO2(mal)2] (triclinic, space group P1̄, a = 10.365(4),b = 10.707(3), c - 11.473(5) A, a = 73.00(2), β = 64.44(3), 7 = 82.55(3)°, Z = 1) have been determined by single crystal X-ray diffraction analysis. The IR and Raman spectra of these complexes were measured at room temperature. Based on the molecular parameters of the X-ray determinations normal coordinate analyses have been performed and the vibrations assigned. The valence force constants of [OsO2(ox)2]2- are fd(Os=O) = 6.7, fd(Os-O) = 2.9, fd(C-O) = 5.05, fd(C=O) = 11.2 and fd(C-C) = 4.7 mdyn/Å and of [OsO2(mal)2]2- fd(Os=O) = 6.7, fd(Os-O) = 2.9, fd(C-O) = 4.86, fd(C=O) =11.1 and fd(C-C) = 4.07 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.

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.

Synthesis, Vibrational Spectra, Mass Spectrum and Crystal Structure of Tri-n-butyltin Diphenylphosphinate (n-Bu)3SnO2PPh2

1995 ◽  
Vol 50 (9) ◽  
pp. 1343-1347 ◽  
Author(s):  
Abdel-Fattah Shihada ◽  
Frank Weller
Keyword(s):  
Crystal Structure ◽  
Mass Spectrum ◽  
Diffraction Study ◽  
Raman Spectra ◽  
Vibrational Spectra ◽  
Ir And Raman Spectra ◽  
X Ray Diffraction ◽  
X Ray ◽  
Trigonal Bipyramidal ◽  
Ir And Raman

AbstractTri-n-butyltin diphenylphosphinate (n-Bu)3SnO2PPh2 has been synthesized by the reaction of (n-Bu3Sn)2O with Ph2POCl in toluene. An X-ray diffraction study of (n-Bu3)SnO2PPh2 shows that the structure is polymeric and consists of helical chains in which (n-Bu)3Sn groups are linked by O-P-O bridges. The geometry about tin is trigonal bipyramidal, with n-butyl groups in equatorial positions and an axial O-Sn-O angle of 176.2 (2)°. IR and Raman spectra of (n-Bu)3SnO2PPh2 are given and assigned. The mass spectrum is reported and discussed.

Schwingungsspektren und Normalkoordinatenanalysen der Dioxoosmate( VI) trans-[OsO2(CN)4]2-, trans-[OsO2(CN)2(0H )]22- und trans-[OsO2(CN)2(OCH3)]22 sowie Kristallstruktur von trans-(Ph3PNPPh3)2[OsO2(CN)2(OCH3)]2 / Vibrational Spectra and Normal Coordinate Analysis of the Dioxoosmates(VI) trans-[OsO2(CN)4]2-, trans-[OsO2 (CN)2(OH)]22- and trans-[OsO2(CN)2(OCH3]22- , and Crystal Structure of trans-(Ph3PNPPh3)2[OsO2(CN)2(OCH3)]2

1999 ◽  
Vol 54 (9) ◽  
pp. 1109-1115
Author(s):  
A. Strueß ◽  
W. Preetz
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Diffraction Analysis ◽  
Vibrational Spectra ◽  
Room Temperature ◽  
X Ray Diffraction ◽  
Normal Coordinate ◽  
Triclinic Space Group ◽  
X Ray ◽  
Ir And Raman

The crystal structure of trans-(Ph3PNPPh3)2[OsO2(CN)2(OCH3)]2 (triclinic, space group P1̄, a = 11.816(2), b = 13.480(3), c = 13.610(5) Å, α = 83.46(2), ß = 77.09(2), γ = 71.06(2)°, Z = 1) has been determined by single crystal X-ray diffraction analysis. The IR and Raman spectra of the (n-Bu4N)-salts of trans-[OsO2(CN)4]2- (1), trans-[OsO2(CN)2(OH)]22- (2) and trans-[OsO2(CN)2(OCH3)]22- (3) were measured at room temperature. Based on the molecular parameters of the X-ray determination normal coordinate analyses have been performed and the vibrations are assigned. The valence force constants of 1 are fd(Os=O) = 6.5, fd(Os-C) = 2.62 and fd(C≡N ) = 16.85 mdyn/A, of 2 and 3 are fd(Os=O) = 6.7, fd(Os-C) = 2.55 and fd(C≡N ) = 16.95 mdyn/Å. fd(Os-O) ranges from 2.0 - 2.2 and for the methoxy bridge is fd(C-O) = 4.00 mdyn/Å

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