Synthesis, vibrational spectra, and X-ray crystal structure of di-µ-hydroxobis[bromodichloro(tetrahydrofuran)tin(IV)]–tetrahydrofuran (1/2)

1986 ◽  
pp. 883-885 ◽  
Author(s):  
David Tudela ◽  
Vicente Fernandez ◽  
Angel Vegas
Keyword(s):  
Crystal Structure ◽  
Vibrational Spectra ◽  
X Ray

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.

ChemInform Abstract: SYNTHESES, X-RAY CRYSTAL STRUCTURE, AND VIBRATIONAL SPECTRA OF L-CYSTEINATO(METHYL)MERCURY(II) MONOHYDRATE

1975 ◽  
Vol 6 (20) ◽  
pp. no-no
Author(s):  
NICHOLAS J. TAYLOR ◽  
YAU S. WONG ◽  
PETER C. CHIEH ◽  
ARTHUR J. CARTY
Keyword(s):  
Crystal Structure ◽  
Vibrational Spectra ◽  
Methyl Mercury ◽  
X Ray

Kristallstruktur und Schwingungsspektren von Li5CrCl8 / Crystal Structure and Vibrational Spectra of Li5CrCl8

1992 ◽  
Vol 47 (12) ◽  
pp. 1687-1692 ◽  
Author(s):  
Heinz Dieter Lutz ◽  
Peter Kuske ◽  
Arno Pfitzner ◽  
Hermann-Josef Steiner
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Vibrational Spectra ◽  
Title Compound ◽  
Structure Type ◽  
The Novel ◽  
X Ray ◽  
Symmetry Coordinates ◽  
Unknown Structure ◽  
Ir And Raman

The crystal structure of the novel pink Li5CrCl8 oC28 has been determined by both single crystal X-ray and neutron powder studies. The title compound crystallizes in a hitherto unknown structure type (space group C mmm, Z = 2). The final R values are R = 3.4% (715 independent reflections with I > 3aI) and Rwp = 11.5%, respectively (a = 1019.79(3), b = 723.94(2) and c = 726.16(3) pm). The structure consists of edge-connected Li(l)Cl6 and alternating edge-connected Li(2)Cl6 and CrCl6 octahedra, respectively. It is related to the NaCl super structure SnMn2S4 type. IR and Raman spectra as well as symmetry coordinates are given and discussed in terms of CrCl6 and LiCl6 breathing modes.

scholarly journals Darstellung, Kristallstruktur und Schwingungsspektren von cyclo-Undekaschwefel (S11) und von cyclo-Tridekaschwefel (S13) / Preparation, Crystal Structure, and Vibrational Spectra of cyclo-Undecasulfur (S11) and of cyclo-Tridecasulfur (S13)

1986 ◽  
Vol 41 (8) ◽  
pp. 958-970 ◽  
Author(s):  
Ralf Steudel ◽  
Jürgen Steidel ◽  
Torsten Sandow
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Raman Spectra ◽  
Vibrational Spectra ◽  
Infrared And Raman Spectra ◽  
X Ray ◽  
Bond Angles ◽  
Torsional Angles

AbstractThe homocyclic S11 and S13 molecules have been synthesized from titanocenepentasulfide and S6Cl2 or S8Cl2, respectively, and obtained as yellow crystals which are metastable for several days at 20 °C. X-Ray structural analyses of single crystals at -105± 5 °C exhibited molecules of approximately C2 symmetry with bond distances (d), bond angles (a) and torsional angles (r) in the following ranges: S11 : d = 203.2 -211.0 pm, α = 103.3-108.6°, τ = 69.3 - 140.5°; S13: d = 197.8 - 211.3 pm, α = 102.8-111.1°, τ = 29.5 - 116.3°. Infrared and Raman spectra of S11 and S13 are reported. In addition, the synthesis of S6Cl2 and S8Cl2 from S6 or S8, respectively, and chlorine is described.

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.

Darstellung, 11B-NMR- und Schwingungsspektren von c/s-Monoethylmononitrotetrahydro- c/050-hexaborat(2-) sowie Kristallstruktur von cis (Ph4As)2[B6H4(C2H5)(NO2)] / Synthesis, 11B NMR and Vibrational Spectra of cis-Monoethylmononitrotetrahydroc-closo-hexaborate(2-) and Crystal Structure of cis-(Ph4As)2[B6 H4 (C2H5 )(NO2)]

1999 ◽  
Vol 54 (6) ◽  
pp. 772-776 ◽  
Author(s):  
C. Drewes ◽  
W. Preetz
Keyword(s):  
Crystal Structure ◽  
Diffraction Analysis ◽  
Vibrational Spectra ◽  
X Ray Diffraction ◽  
Nmr Spectrum ◽  
Dichloromethane Solution ◽  
Triclinic Space Group ◽  
X Ray ◽  
11B Nmr ◽  
Ir And Raman

By electrochemical oxidation of (n-Bu4N)[B6H5Hfac(C2H5)] in the presence of nitrite ions and of the base DBU in dichloromethane solution cis-[B6H4(C2H5)(NO2)]2- is formed. X-ray diffraction analysis has been performed on a single crystal of cis-(Ph4 As)2[B6H4(C2H5)(NO2)] (triclinic, space group P1; a = 10.673(4). b = 10.907(4), c = 21.237(4) A, α = 80.789(4), β = 83.117(4), γ = 66.548(2)°, Z = 2). The 11B NMR spectrum is consistent with a disubstituted octahedral B6 cage with local Cs symmetry. The IR and Raman spectra exhibit characteristic CH3, CH2, NO2, BN, BH and B6 vibrations

Chemie polyfunktioneller Liganden, 48 [1]. Synthese, Schwingungsspektren, Molekül-und Kristallstruktur eines Organocyclotriarsan-pentacarbonylchrom-Komplexes / Chemistry of Polyfunctional Ligands, 48 [1]. Synthesis, Vibrational Spectra, Molecular and Crystal Structure of an Organocyclotriarsane-pentacarbonylchromium Complex

1978 ◽  
Vol 33 (12) ◽  
pp. 1386-1392 ◽  
Author(s):  
Jochen Ellermann ◽  
Helmut A. Lindner ◽  
Horst Schössner ◽  
Gerhard Thiele ◽  
Gerd Zoubek
Keyword(s):  
Crystal Structure ◽  
Mass Spectrum ◽  
Vibrational Spectra ◽  
Infrared And Raman Spectra ◽  
X Ray Diffraction ◽  
Monodentate Ligand ◽  
X Ray ◽  
Chromium Hexacarbonyl ◽  
Closest Packing ◽  
Fragmentation Patterns

Abstract The organocyclotriarsane, CH3C(CH2As)3 (1), reacts with chromium hexacarbonyl on ultraviolet irradiation to give the complex CH3C(CH2As)3Cr(CO)5 (2), in which the cyclo-triarsane is behaving as a monodentate ligand. The crystal structure of 2 has been determinated by X-ray diffraction. The monoclinic unit cell (space group P21/n) contains 4 isolated molecules in a hexagonal closest packing. The mass spectrum of 2 shows the parent peak and clear fragmentation patterns. The infrared and Raman spectra are reported for 1 and 2 in the 3000-30 cm-1 region. Most of the fundamental vibrations are assigned.

Synthese, Schwingungs- und Massenspektren von Et2Sn(O2PR2)2 (R = Me, Ph); Kristallstruktur von Et2Sn(O2PPh2)2 / Synthesis, Vibrational Spectra and Mass Spectra of Et2Sn(O2PR2)2 (R = Me, Ph); Crystal Structure of Et2Sn(O2PPh2)2

1996 ◽  
Vol 51 (8) ◽  
pp. 1111-1116 ◽  
Author(s):  
Abdel-Fattah Shihada ◽  
Frank Weller
Keyword(s):  
Crystal Structure ◽  
Vibrational Spectra ◽  
Mass Spectra ◽  
Structure Refinement ◽  
Base Peak ◽  
Trans Position ◽  
X Ray Diffraction ◽  
X Ray ◽  
Octahedral Environment ◽  
In Trans

Et2Sn(O2PPh2)2 has been synthesized by the reaction of (Et2ClSn)2O with Ph2POCl in toluene and by the treatment of (Et2ClSn)2O or Et2SnCl2 with HO2PPh2 in methanol. The reaction of Et2SnO with HO2PMe2 in toluene was used to prepare Et2Sn(O2PMe2)2. An X-ray diffraction study of Et2Sn(O2PPh2)2 (space group P1̅, Z = 1, a = 559,9( 1), b = 983,7(1), c = 1262,4(l)pm, α = 81,85( 1 )°, β = 79,79( 1)°, γ = 75,00(1)°; structure refinement with 2662 independent reflections, R = 0.055) shows that the structure is polymeric and the O2PPh2 ligands function as double bridges between the tin atoms leading to the formation of centrosymmetric Sn2O4P2 eight-membered rings. The ethyl groups are in trans-position in the resulting octahedral environment around tin. The I. R. and Raman spectra of Et2Sn(O2PR2)2 (R = Ph, Me) have been discussed and assigned. The mass spectra of Et2Sn(O2PR2)2 show Sn(O2PR2)+ as the base peak.

Schwingungsspektren und Normalkoordinatenanalyse von Hexathiocyanatoplatinat(IV), Kristallstruktur von [Py2CH2][Pt(SCN)6] / Vibrational Spectra and Normal Coordinate Analysis of Hexathiocyanatoplatinate(IV), Crystal Structure of [Py2CH2][Pt(SCN)6]

1998 ◽  
Vol 53 (1) ◽  
pp. 13-16
Author(s):  
J. Seemann ◽  
W. Preetz
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Low Temperature ◽  
Single Crystal ◽  
Vibrational Spectra ◽  
Structure Determination ◽  
Normal Coordinate Analysis ◽  
Normal Coordinate ◽  
X Ray ◽  
Ir And Raman

By treatment of [PtCl6]2- with an excess of SCN– in aqueous solution [Pt(SCN)6]2- is formed. The X-ray structure determination on a single crystal of [Py2CH2][Pt(SCN)6] (orthor-hombic, space group Pna21, a = 15.5084(9), b = 11.8444(11), c = 13.2830(9)Å, Z = 4) shows, that the thiocyanate groups are exclusively S-coordinated with average Pt-S distances of 2.378 Å and Pt-S-C angles in the range from 103.1° to 108.1°. Based on the molecular parameters of the X-ray determination the low temperature (10 K) IR and Raman spectra have been assigned by normal coordinate analysis. The valence force constant is fd(PtS) = 1.62 mdyn/Å.

Kristallstruktur, Schwingungsspektren und Normalkoordinatenanalyse von trans-(Et4N)[OsF4Cl2] / Crystal Structure, Vibrational Spectra and Normal Coordinate Analysis of trans-(Et4N)[OsF4Cl2]

2000 ◽  
Vol 55 (8) ◽  
pp. 691-694 ◽  
Author(s):  
B. Lorenzen ◽  
W. Preetz
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Vibrational Spectra ◽  
Structure Determination ◽  
Trifluoroacetic Acid ◽  
Complex Anion ◽  
Normal Coordinate ◽  
Triclinic Space Group ◽  
X Ray ◽  
Ir And Raman

Abstract By careful oxidation of trans-tetrafluorodichloroosmate(IV) with PbO2/trifluoroacetic acid in dichloromethane the corresponding osmium(V) complex anion rran5 -[OsF4Cl2]- is for­ med. The X-ray structure determination on a single crystal has been performed of trans-(Et4N)[OsF4Cl2] (triclinic, space group P1̄a = 7.190(5), b = 7.205(5), c = 7.732(5) Å, a = 71.28(1), β = 71.32(1), 7 = 70.76(1)°, Z = 1). Based on the molecular parameters of the X-ray determination the IR and Raman spectra of the complex have been assigned by normal coordi­ nate analysis. The valence force constants are: fd(OsCl) = 2.13 and fd(OsF) = 3.81 mdyn/Å.

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