Kristallstrukturen und Normalkoordinatenanalyse von trans-(n-Bu4N)2 [ReCl4IX], X = NCS, NCSe / Crystal Structures and Normal Coordinate Analyses of trans-(n-Bu4 N)2[ReCl4 IX], X = NCS, NCSe

1999 ◽  
Vol 54 (6) ◽  
pp. 767-771 ◽  
Author(s):  
L. Homolya ◽  
S. Strueß ◽  
W. Preetz
Keyword(s):  
Low Temperature ◽  
Diffraction Analysis ◽  
Crystal Structures ◽  
X Ray Diffraction ◽  
Normal Coordinate ◽  
Orthorhombic Space Group ◽  
Triclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Ir And Raman

The crystal structures of trans-(n-Bu4N)2[ReCl4I(NCS)] (triclinic, space group P1, a = 11.268(3), b = 11.696(2), c = 18.109(3) A, a = 98.68(2) β = 106.40(2), γ= 97.58(2)°, Z = 2)and trans-(n-Bu4N)2 [ReCl4I(NCSe)] (orthorhombic, space group P212121 a = 11.839(2), b = 12.2679( 10), c = 31.136(5) A, Z = 4) have been determined by single crystal X-ray diffraction analysis. Based on the molecular parameters of the X-ray determinations the low temperature (10 K) IR and Raman spectra o f the (n-Bu4N) salts have been assigned by normal coordinate analysis. The valence force constants are fd(ReN) = 1.69(NCS) and 1.65(NCSe) mdyn/Å

Kristallstrukturen, Schwingungsspektren und Normalkoordinatenanalyse von cis-(n-Bu4N)2[ReBr4(NCS)2 ], cis-(n-Bu4N)2[ReBr4(NCSe)2] und cis-(n-Bu4N)2[ReBr4(NCS)(NCSe)] / Crystal Structures, Vibrational Spectra and Normal Coordinate Analyses of cis-(n-Bu4N)2[ReBr4(NCS)2], cis-(n-Bu4N)2[ReBr4(NCSe)2,] and cis -(n -Bu4N)2[ReBr4(NCS)(NCSe)]

2000 ◽  
Vol 55 (2) ◽  
pp. 178-184 ◽  
Author(s):  
L. Homolya ◽  
W. Preetz
Keyword(s):  
Low Temperature ◽  
Diffraction Analysis ◽  
Crystal Structures ◽  
Vibrational Spectra ◽  
X Ray Diffraction ◽  
Normal Coordinate ◽  
Triclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Ir And Raman

The crystal structures of cis-(n-Bu4N)2[ReBr4(NCS)2] (1) (triclinic, space group P1̄, a = 11.475(6), b = 20.096(16), c = 22.144(11) Å, α = 110.56(6), β = 92.97(5), γ = 99.77(7)°, Z = 4), cis-(n-Bu4N)2[ReBr4(NCS)2] (2) (triclinic, space group P1̄, a = 11.527(3), b = 20.237(7), c = 22.07(2) Å, α = 110.05(4), β = 93.86(6), γ = 99.49(4)°, Z = 4) and cis-{n- Bu4N)2[ReBr4(NCS)(NCSe)] (3) (triclinic, space group P1̄, a = 11.488(2), b = 20.164(6), c = 22.158(5) Å, α = 110.44(2), β = 93.34(2), γ = 99.626(18)°. Z = 4) have been determined by single crystal X-ray diffraction analysis. Based on these molecular parameters the low temperature (10 K) IR and Raman spectra of the (n-Bu4N) salts have been assigned by normal coordinate analysis. The valence force constants are fd(ReN) = 1.70 (1), 1.70 (2) and 1.72 (3), fd(ReBr) = 1.36 (1), 1.30 (2) and 1.36 mdyn/Å (3).

Kristallstrukturen, Schwingungsspektren und Normalkoordinatenanalyse von cis-[ReCl4X2]2-, X = NCS, NCSe / Crystal Structures, Vibrational Spectra and Normal Coordinate Analysis of cis-[ReCl4X2]2-, X = NCS, NCSe

1998 ◽  
Vol 53 (11) ◽  
pp. 1329-1334 ◽  
Author(s):  
L. Homolya ◽  
S. Strueß ◽  
W. Preetz
Keyword(s):  
Crystal Structures ◽  
Normal Coordinate Analysis ◽  
X Ray Diffraction ◽  
Normal Coordinate ◽  
Triclinic Space Group ◽  
Valence Force ◽  
Space Group ◽  
X Ray ◽  
Valence Force Field ◽  
Ir And Raman

The crystal structures of cis-(n-Bu4N)2[ReCl4(NCS)2] (triclinic, space group P1̅, a = 11,245( 1), b = 20.174(3), c = 21.320(8) Å, a =109.06(2), β = 96.46(2), γ = 98.22(5)°, Z = 4) and cis-(Ph4P)2[ReCl4(NCSe)2]·2CH2Cl2 (triclinic, space group P1̅, a = 10.341(2), b = 13.436(3), c = 19.616(4) Å, α = 92.70(2), β = 92.02(2), γ = 89.99( 1)°, Z= 2) have been determined by single crystal X-ray diffraction analysis. Both ambidentate ligands NCS and NCSe are bonded via the N atom. Using the molecular parameters of the X-ray determinations the low temperature (10 K) IR and Raman spectra of the (n-Bu4N) salts have been assigned by normal coordinate analysis based on a modified valence force field. The valence force constants fd(ReN) are 1,78(NCS) and 1,79(NCSe) mdyn/ Å.

Kristallstrukturen, Schwingungsspektren und Normalkoordinatenanalyse von cis- und trans-[ReCl4 (NCSe)(SeCN)]2- / Crystal Structures, Vibrational Spectra, and Normal Coordinate Analysis of cis- and trans-[ReCl4 (NCSe)(SeCN)]2-

1999 ◽  
Vol 54 (3) ◽  
pp. 357-362 ◽  
Author(s):  
S. Strueß ◽  
W. Preetz
Keyword(s):  
Low Temperature ◽  
Crystal Structures ◽  
Normal Coordinate Analysis ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Normal Coordinate ◽  
Space Group ◽  
X Ray ◽  
Cis And Trans ◽  
Ir And Raman

The crystal structures of cis-(n-Bu4N)2[ReCl4(NCSe)(SeCN)] (monoclinic, space group P21/n a = 10.794(3), b = 11.687(3), c = 35.716(4) Å, β = 96.97(1)°, Z = 4) and trans- (CH2Py2)[ReCl4(NCSe)(SeCN)] (monoclinic, space group P21/c, a = 8.348(2), b = 7.518(1), c - 31.295(7) Å, ß = 97.12(2)°, Z = 4) have been determined by single crystal X-ray diffraction analysis. Based on the molecular parameters of the X-ray determinations the low temperature (10 K) IR and Raman spectra of the (n-Bu4N) salts have been assigned by normal coordinate analysis. The valence force constants are fd(ReN) = 1.68 and fd(ReSe) =1.15 mdyn/Å.

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.

Kristallstrukturen, Schwingungsspektren und Normalkoordinatenanalyse von cis-(n-Bu4N)2[ReBr4(NCS)(SCN)], trans-(n-Bu4N)2[ReBr4(NCS)(SCN)] und trans-(n-Bu4N)2[ReBr4(NCSe)(SeCN)]

1999 ◽  
Vol 54 (8) ◽  
pp. 1009-1014 ◽  
Author(s):  
L. Homolya ◽  
W. Preetz
Keyword(s):  
Low Temperature ◽  
Single Crystal ◽  
Diffraction Analysis ◽  
Raman Spectra ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Normal Coordinate ◽  
Space Group ◽  
X Ray ◽  
Ir And Raman

The crystal structures of cis-(n-Bu4N)2[ReBr4(NCS)(SCN)] (1) (monoclinic, space group P21/n, a = 11.203(3), b = 11.738(5), c = 35.218(7) Å, β = 93.434(4)°, Z = 4), trans-(n-Bu4N)2[ReBr4(NCS)(SCN)] (2) (monoclinic, space group P21/n, a = 11.644(7), b = 13.695(3), c = 29.028(8) Å, β = 95.96(4)° Z = 4) and trans-(n-Bu4N)2[ReBr4(NCSe)(SeCN)] (3) (monoclinic, space group P21/n, a = 11.894(2), b = 13.737(2), c = 28.869(7) Å, β = 96.98(10)° Z = 4) have been determined by single crystal X-ray diffraction analysis. Based on these molecular parameters the low temperature (10 K) IR and Raman spectra of the (n-Bu4N) salts have been assigned by normal coordinate analysis. The valence force constants are fd(ReN) = 1.70 (1), 1.75 (2) and 1.75 (3), fd(ReS) = 1.32 (1) and 1.37 (2) and fd(ReSe) = 1.20 mdyn/Å (3).

Darstellung, Schwingungsspektren und Normalkoordinatenanalyse von bindungsisomeren Halogenoselenocyanatorhenaten(IV) sowie Kristallstrukturen von mer-(Ph4P)2[ReCl3(NCSe)2cis (SeCN)] und mer-(n-Bu4N)2[ReCl3I(NCSe)2cis] / Synthesis, Vibrational Spectra and Normal Coordinate Analysis of Linkage Isomeric Halogenoselenocyanatorhenates(IV) and Crystal Structures of mer-(Ph4P)2[ReCl3(NCSe)2cis (SeCN)] and mer-(n-Bu4N)2[ReCl3I(NCSe)2cis]

1999 ◽  
Vol 54 (10) ◽  
pp. 1222-1228 ◽  
Author(s):  
S. Strueß ◽  
W. Preetz
Keyword(s):  
Crystal Structures ◽  
Exchange Chromatography ◽  
Normal Coordinate Analysis ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Normal Coordinate ◽  
Triclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Diethylaminoethyl Cellulose

By treatment of fac-[ReCl3I3]2- with (SeCN)2 indichloromethane fac-[ReCl3(NCSe)3]2- (1), mer-[ReCl3(NCSe)2cis (SeCN)]2- (2) and mer-[ReCl3I(NCSe)2cis]2- (3) are formed which have been separated by ion exchange chromatography on diethylaminoethyl cellulose. The crystal structures of mer-(Ph-P)2[ReCl3(NCSe)2cis(SeCN)] (triclinic, space group Pl̅, a = 16.099(1), b = 16.729(3), c =21.026(2) Å, α = 70.194(10), ß = 73.958(10), γ = 83.929(10)°, Z = 4) and mer-(n-Bu4N)2[ReCl3|(NCSe)2cis] (monoclinic, space group P21/c, a = 11.838(1), b = 12.796(2), c = 30.767(2) Å, ß = 97.419(6)°, Z = 4) have been determined by single crystal X-ray diffraction analysis. Based on the molecular parameters of the X-ray determinations the low temperature (10 K) IR and Raman spectra of the (n-Bu4N) salts have been assigned by normal coordinate analysis. The valence force constants are fd(ReN) = 1.79 (1), 1.71 (2), 1.71 (3) and fd(ReSe) = 1.15 (2) mdyn/Å.

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

scholarly journals Die Spektren und Kristallstrukturen der Addukte CI5Sb · [N(i-C3H7)CN(i-C3H7)] und Cl4Sn · 2 [N(i-C3H7)CN(i-C3H7)] / Spectra and Crystal Structures of the Adducts Cl5Sb · [N(i-C3H7)CN(i-C3H7)] and Cl4Sn · 2 [N(i-C3H7)CN(i-C3H7)]

1986 ◽  
Vol 41 (10) ◽  
pp. 1223-1229 ◽  
Author(s):  
H.-D. Hausen ◽  
W. Schwarz ◽  
G . Rajca ◽  
J. Weidlein
Keyword(s):  
Crystal Structures ◽  
Vibrational Spectra ◽  
Structure Determination ◽  
Unit Cell ◽  
Molar Ratio ◽  
Orthorhombic Space Group ◽  
Triclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Ir And Raman

Abstract Spectra and Crystal Structures of the Adducts C l5Sb • [N(/-C3H 7)C N (i-C3H 7)] and C l4Sn • 2 [N(/-C3H 7)CN(/-C3H 7)j X-Ray, Vibrational Data, Diisopropylcarbodiimide Adducts of SbCl5, SnCl4 Thecarbodiimide adducts Cl5Sb <-(—N (R) = C = N R)(1) and Cl4S n ^ (-N (R) = C = N R) 2(2)(R = /-C3H 7) have been prepared by the reaction o f R —N = C —N — R with SbCl5 in a 1:1 and with SnCl4 in a 2:1 molar ratio, respectively. The vibrational spectra (IR and Raman) of both compounds have been regarded and assigned to the skeleton modes. The X-ray structure determination shows the orthorhombic space group Pna2, with 4 formula units per unit cell for 1. Adduct 2 has a trans-configuration and crystallizes in the triclinic space group P 1 with only one molecule per unit cell.

Die neuen Oxoarsenate(III) AAsO2 (A = Na, K, Rb) und Cs3As5O9. Darstellung, Kristallstrukturen und Raman-Spektren / The New Oxoarsenates(III) AAsO2 (A = Na, K, Rb) and Cs3As5O9. Synthesis, Crystal Structures and Raman Spectra

2003 ◽  
Vol 58 (7) ◽  
pp. 620-626 ◽  
Author(s):  
Franziska Emmerling ◽  
Caroline Röhr
Keyword(s):  
Crystal Structures ◽  
Metal Content ◽  
Alkali Metals ◽  
Alkaline Metal ◽  
Tetrahedral Coordination ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray ◽  
Metal Arsenates

The new alkaline metal arsenates(III) were synthesized at a temperature of 500 °C via reaction of stoichiometric mixtures of the elemental alkali metals A and As2O3. In the crystal structures of the four title compounds, which have been determined by single crystal x-ray diffraction, the As(III) atoms are in ψ-tetrahedral coordination by oxygen exclusively. In NaAsO2 (orthorhombic, space group Pbcm, a = 1429.6(9), b = 677.3(3), c = 509.1(2) pm, Z = 8) and the compounds AAsO2 (A = K/Rb, orthorhombic, space group Pbcm, a = 715.1(2)/729.7(5), b =748.0(1)/775.2(5), c = 539.20(17)/541.1(3) pm, Z = 4) the AsO3 ψ-tetrahedra are condensed to form zig-zag chains [AsOO2/2]−. In the Cs phase Cs3As5O9 with a lower alkaline metal content (trigonal, space group P31m, a = 845.5(3), c = 602.6(2) pm, Z = 1) the two crystallographically independent ψ-tetrahedra AsO3/2 and AsOO2/2 are connected in a 2:3 ratio to give polar sheets [As5O9]3−.

Crystal Structures and Stability of Two Bipyridyl Complexes of Metal Chloroacetates

2007 ◽  
Vol 62 (10) ◽  
pp. 1271-1276 ◽  
Author(s):  
Liang Chen ◽  
Xian-Wen Wanga ◽  
Jing-Zhong Chen ◽  
Jian-Hong Liu
Keyword(s):  
Binuclear Complexes ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Reaction Conditions ◽  
Triclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Dimensional Network

The complexes Mn(Cl3CCOO)2(4,4′-bpy) (1) and [Cu2(ClCH2COO)(2,2′-bpy)2(OH)(H2O)]-(NO3)2(2) (bpy = bipyridine) were generated under mild reaction conditions and characterized by IR spectra, thermogravimetric analysis (TGA), X-ray powder diffraction (XRD), and single crystal X-ray diffraction. Compound 1 exhibits a two-dimensional network with octahedrally coordinated Mn(II) atoms linked by 4,4′-bpy ligands and Cl3COO− ligands. Compound 2 features a supramolecular structure of binuclear complexes, with edge-sharing five-coordinated square-pyramidal units bridged by the ClCH2COO− ligand, an OH− group and a water molecule. Complex 1 crystallizes in the orthorhombic space group Pbcn with cell parameters: a = 16.5390(17), b = 11.6396(17), c = 9.9181(12) Å, V = 1909.3(4) Å3, Z = 4, wR2 = 0.1576. Complex 2 crystallizes in the triclinic space group P1̅ with cell parameters: a = 7.6190(15), b = 11.151(2), c = 16.640(3) Å , α = 73.13(3), β = 80.89(3), γ = 74.51(3)°, V = 1298.73(4) Å3, Z = 2, wR2 = 0.1265.

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