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  • 1
    Electronic Resource
    Electronic Resource
    Darstellung, Kristallstrukturen und spektroskopische Eigenschaften der Clusteranionen [(Mo6X8i)(N3)6a]2-; Xi = Cl, Br (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 1-7 
    Details
    ISSN: 0044-2313
    Keywords: Octa-μ3-chloro-hexazido-octahedromolybdate(2-) ; Octa-μ3-bromo-hexazido-octahedromolybdate(2-) ; Synthesis ; Crystal Structure ; Vibrational Spectra ; Normal Coordinate Analysis ; Force Constants ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Synthesis, Crystal Structure, and Spectroscopic Properties of the Cluster Anions [(Mo6X8i)(N3)6a]2-; Xi = Cl, BrBy treatment of [(Mo6X8i)Y6a]2-; Xi, Ya = Cl, Br; with AgNO3 in ethanol/dichloromethane and addition of NaN3 the octa-μ3-halogeno-hexazido-octahedro-hexamolybdate(2-) anions [(Mo6X8i)(N3)6a]2- are formed. X-ray structure determinations have been performed on single crystals of (n-Bu4N)2[(Mo6Cl8i)(N3)6a] (1) (monoclinic, space group P 21/n, a = 14.592(5) Å, b = 12.314(5) Å, c = 17.039(5) Å, β = 101.183(5)°, Z = 2), (n-Bu4N)2[(Mo6Br8i)(N3)6a] (2) (monoclinic, space group P 21/n, a = 14.595(6) Å, b = 12.416(5) Å, c = 16.960(3) Å, β = 100.74(3)°, Z = 2) and (Ph3P=N=PPh3)2 [(Mo6Br8i)(N3)6a] (3) (triclinic, space group P 1, a = 11.092(4) Å, b = 13.161(8) Å, c = 14.341(11) Å, α = 78.085(6)°, β = 82.821(5)°, γ = 84.379(4)°, Z = 1). Whereas the cluster anions of the (n-Bu4N) salts reveal a regular geometry, the (Ph3P=N=PPh3) cation causes strong distortions of the cluster kernel with variation of the Mo-Mo and Mo-Bri distances up to 8%. Using the molecular parameters of the X-ray determinations the low temperature (10 K) IR and Raman spectra of the (n-Bu4N) cluster salts are assigned by normal coordinate analyses based on a modified valence force field. The valence force constants are fd(Mo—Mo) = 1.53 (Cli), 1.46 (Bri), fd(Mo—Cli) = 1.09, fd(Mo-Bri) = 0.96, fd(Mo-N1) = 2.09 (Cli), 2.36 (Bri) mdyne/Å, respectively.
    Notes: Bei der Umsetzung von [(Mo6X8i)Y6a]2-; Xi, Ya = Cl, Br; mit AgNO3 in Ethanol/Dichlormethan und anschließender Zugabe von NaN3 entstehen Octa-μ3-halogeno-hexazido-octahedro-hexamolybdat(2-)-Anionen [(Mo6X8i)(N3)6a]2- Röntgenstrukturanalysen sind an Einkristallen von (n-Bu4N)2[(Mo6Cl8i)(N3)6a] (1) (monoklin, Raumgruppe P 21/n, a = 14,592(5) Å, b = 12,314(5) Å, c = 17,039(5) Å, β = 101,183(5)°, Z = 2), (n-Bu4N)2[(Mo6Br8i)(N3)6a] (2) (monoklin, Raumgruppe P 21/n, a = 14,595(6) Å, b = 12,416(5) Å, c = 16,960(3) Å, β = 100,74(3)°, Z = 2) und (Ph3P=N=PPh3)2[(Mo6Br8i)(N3)6a] (3) (triklin, Raumgruppe P 1, a = 11,092(4) Å, b = 13,161(8) Å, c = 14,341(11) Å, α = 78,085(6)°, β = 82,821(5)°, γ = 84,379(4)°, Z = 1) durchgeführt worden. Während die Clusteranionen in den (n-Bu4N)-Salzen eine regelmäßige Geometrie aufweisen, verursacht das Kation in der (Ph3P=N=PPh3)-Verbindung starke Verzerrungen des Clusterkerns mit einer Variation der Bindungslängen Mo-Mo bzw. Mo-Bri um bis zu 8%. Unter Verwendung der röntgenographisch ermittelten Molekülparameter werden die bei 10 K registrierten IR- und Raman-Spektren der (n-Bu4N)-Clustersalze durch Normalkoordinatenanalysen auf der Basis eines modifizierten Valenzkraftfeldes zugeordnet. Die Valenzkraftkonstanten betragen für fd(Mo-Mo) = 1,53 (Cli) bzw. 1,46 (Bri), fd(Mo-Cli) = 1,09, fd(Mo—Bri) = 0,96, fd(Mo—N1) = 2,09 (Cli) bzw. 2,36 (Bri) mdyne/Å.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19976230102
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  • 2
    Electronic Resource
    Electronic Resource
    Darstellung, Kristallstrukturen, Schwingungsspektren und Normalkoordinatenanalyse von (TBA)2[(Mo6X8i)Y6a]; Xi = Cl, Br; Ya = NCO, NCSe (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 515-523 
    Details
    ISSN: 0044-2313
    Keywords: Octa-μ3-chloro-hexaisocyanato-octahedro-hexamolybdate(2-) ; Octa-μ3-bromo-hexaisocyanato-octahedro-hexamolybdate(2-) ; Octa-μ3-chloro-hexaisoselenocyanato-octahedro-hexamolybdate(2-) ; Octa-μ3-bromo-hexaisoselenocyanato-octahedro-hexamolybdate(2-) ; Synthesis, Crystal Structure ; Vibrational Spectra ; Normal Coordinate Analysis ; Force Constants ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Synthesis, Crystal Structures, Vibrational Spectra, and Normal Coordinate Analysis of (TBA)2[(Mo6X8i)Y6a]; Xi = Cl, Br; Ya = NCO, NCSeBy treatment of [(Mo6X8i)I6a]2-, Xi = Cl, Br with AgNCO in acetone the hexaisocyanato derivates [(Mo6Cl8i)(NCO)6a]2- and [(Mo6Br8i)(NCO)6a]2- are formed, whereas the reaction with AgNO3 and KNCSe yields [(Mo6Cl8i)(NCSe)6a]2- and [(Mo6Br8i)(NCSe)6a]2-. The X-ray structure determinations on single crystals of (TBA)2[(Mo6Cl8i) (NCO)6a] (1) (triclinic, space group P1, a = 12.006(5), b = 12.084(5), c = 12.143(5) Å, α = 61.974(5)°, β = 75.975(5)°, γ = 76.527(5)°, Z = 1), (TBA)2[(Mo6Br8i) (NCO)6a] (2) (triclinic, space group P1, a = 11.880(5), b = 11.972(5), c = 12.107(5) Å, α = 78.021(5)°, β = 78.320(5)°, γ = 62.660(5)°, Z = 1), (TBA)2[(Mo6Cl8i) (NCSe)6a] · 2 Et2O (3) (monoclinic, space group P21/n, a = 11.30(2), b = 16.472(4), c = 20.134(3) Å, β = 95.43(3)°, Z = 2) and (TBA)2[(Mo6Br8i) (NCSe)6a] · 2 Me2CO (4) (triclinic, space group P1, a = 11.014(2), b = 12.72(2), c = 13.323(1) Å, α = 78.48(2)°, β = 81.92(1)°, γ = 83.11(4)°, Z = 1) reveal that the cyanate and selenocyanate groups are coordinated via the N atoms. The (MoNC) angles are 160.3° (1), 168.1° and 153.8-155.5° (2), 166.1° and 172.6° (3), 172.9° and 147.1-165.1° (4), indicating apical and equatorial groups of ligands in (2), (3), (4). Using the molecular parameters of the X-ray determinations the low temperature (10 K) IR and Raman spectra of the (TBA) cluster salts are assigned by normal coordinate analyses based on a modified valence force field. The (MoN) valence force constants are 2.44 (1), 2.45 (2), 2.02 (3), 1.92 mdyne/ Å (4).
    Notes: Bei der Umsetzung von [(Mo6X8i)I6a]2-; Xi = Cl, Br, mit AgNCO in Aceton entstehen die Hexaisocyanato-Derivate [(Mo6Cl8i)(NCO)6a]2- und [(Mo6Br8i)(NCO)6a]2-, mit AgNO3 und anschließender Zugabe von KNCSe die Hexaisoselenocyanate [(Mo6Cl8i)(NCSe)6a]2- und [(Mo6Br8i)(NCSe)6a]2-. Die Röntgenstrukturanalysen an Einkristallen von (TBA)2[(Mo6Cl8i)(NCO)6a](1) (triklin, Raumgruppe P1, a = 12,006(5), b = 12,084(5), c = 12,143(5) Å, α = 61,974(5)°, β = 75,975(5)°, γ = 76,527(5)°, Z = 1), (TBA)2[(Mo6Br8i)(NCO)6a](2) (triklin, Raumgruppe P1, a = 11,880(5), b = 11,972(5), c = 12,107(5) Å, α = 78,021(5)°, β = 78,320(5)°, γ = 62,660(5)°, Z = 1). (TBA)2[(Mo6Cl8i)(NCSe)6a] · 2Et2O (3) (monoklin, Raumgruppe P21/n, a = 11,30(2), b = 16,472(4), c = 20,134(3) Å, β = 95,43(3)°, Z = 2) und (TBA)2[(Mo6Br8i)(NCSe)6a] · 2Me2CO (4) (triklin, Raumgruppe P1, a = 11,014(2), b = 12,72(2), c = 13,323(1) Å, α = 78,48(2)°, β = 81,92(1)°, γ = 83,11(4)°, Z = 1) zeigen, daß über N gebundene Cyanat- und Selenocyanat-Gruppen vorliegen. Die (MoNC)-Bindungswinkel betragen 160,3° (1), 153,8-155,5° und 168,1° (2), 166,1° und 172,6° (3) sowie 172,9° und 147,1-165,1° (4), was für (2), (3) und (4) auf die Ausbildung apikaler und äquatorialer Ligandengruppen hinweist. Unter Verwendung der röntgenographisch ermittelten Molekülparameter werden die bei 10 K registrierten IR- und Raman-Spektren der (TBA)-Clustersalze durch Normalkoordinatenanalysen auf der Basis eines modifizierten Valenzkraftfeldes zugeordnet. Die (MoN)-Valenzkraftkonstanten betragen 2,44 (1), 2,45 (2), 2,02 (3) und 1,92 mdyn/ Å (4).
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19976230181
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  • 3
    Electronic Resource
    Electronic Resource
    Darstellung, Kristallstrukturen, Schwingungsspektren und Normalkoordinatenanalyse von [(Mo6Br8i)Y6a]2-; Ya = CN, NCSProfessor Manfred Weidenbruch zum 60. Geburtstag gewidmet (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 1885-1891 
    Details
    ISSN: 0044-2313
    Keywords: Octa-μ3-bromo-hexacyano-octahedro-hexamolybdate(2-) ; Octa-μ3-bromo-hexaisothiocyanato-octahedro-hexamolybdate(2-) ; Synthesis, Crystal Structure ; Vibrational Spectra ; Normal Coordinate Analysis ; Force Constants ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Preparation, Crystal Structures, Vibrational Spectra, and Normal Coordinate Analysis of [(Mo6Br8i)Y6a]2-; Ya = CN, NCSBy treatment of [(Mo6Br8i)Bra6]2- with AgNO3 in acetone and addition of KCN or KNCS the hexacyano and hexaisothiocyanato derivates [(Mo6Br8i)Y6a]2-, Ya = CN, NCS are formed. X-ray structure determinations of (Ph4P)2 [(Mo6Br8i)(CN)a6]·4H2 O (1) (triclinic, spacegroup P1, a = 11.63(3), b = 11.85(1), c = 14.23(5) Å, α = 71.8(1)°, β = 67.6(3)°, γ = 62.8(1)°, Z= 1) and (n-Bu4N)2[(Mo6Br i8)(NCS)a6] · 2Et2O (2) (monoclinic, spacegroup P21/n, a = 11.483(3), b = 16.348(5), c = 20.059(6) Å, β= 95.44(3)°, Z = 2) have been performed. The via C coordinated cyano ligands of (1) reveal facial groups with (MoCN) angles of 168.0-171,5° and 174.1°-175.7°. In (2) the via N coordinated isothiocyanato groups at the apical positions show MoNC-angles of 164.4°, the equatorial angles are 172.7-173.5°. Using the molecular parameters of the X-ray determinations the 10 K IR and Raman spectra of the (n-Bu4N) cluster salts are assigned by normal coordinate analyses based on a modified valence force field. The valence force constants are fd(MoMo) = 1.41 (CNa), 1.43 (NCSa), fd (MoBri) = 0.97 (CNa), 0.96 (NCSa), fd(MoC) = 1.62, fd(Mo-N) = 2.09 mdyne/Å.
    Notes: Bei der Umsetzung von [(Mo6Br8i)Bra6]2- mit AgNO3 Aceton und anschließender Zugabe von KCN bzw. KNCS entstehen das Hexacyano- bzw, das Hexaisothiocyanatoderivat [(Mo6Br8i)Y6a]2-, Ya = CN, NCS. Röntgenstrukturanalysen sind an Einkristallen von (Ph4P)2[(Mo6Br8i)(CN)a 6 · 4H2O (1) (triklin, Raumgruppe P1, a = 11,63(3), b = 11,85(1), c = 14,23(5) Å, ş= 71,8(1)°, β = 67,6(3)°, γ = 62,8(1)°, Z = 1) und (n-Bu4N)2][(Mo6Br8i)(NCS) a6] · 2Et2O (2) (monoklin, Raumgruppe P21/n, a =11,483(3), b = 16,348(5), c = 20,059(6) Å, β = 95,44(3)°, Z = 2) durchgeführt worden. In (1) liegen die über C gebundenen Cyanoliganden als faciale Gruppen mit MoCN-Winkeln von 168,0-171,5° und 174,1-175,7° vor. In (2) bilden die über N koordinierten Isothiocyanatogruppen in den beiden apikalen Positionen MoNC-Winkeln von 164,4°, die äquatorialen Winkel von 172,7-173,5°. Unter Verwendung der röntgenographisch ermittelten Molekülparameter werden die bei 10 K registrierten IR- und Raman-Spektren der (n Bu4N)-Clustersalze durch Normalkoordinatenanalysen auf der Basis eines modifizierten Valenzkraftfeldes zugeordnet. Die Valenzkraftkonstanten betragen für fd(MoMo) = 1,41 (CNa) bzw. 1,43 (NCSa), fd(MoBri) = 0,97 (CNa) bzw. 0,96 (NCSa), fd(MoC) = 1,62 und fd(MoN) = 2,09 mdyn/Å.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19976231211
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