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  • 1
    Electronic Resource
    Electronic Resource
    Crystal and molecular structure and magnetism of (.mu.-terephthalato)bis[(N-(2-diethylamino)ethyl)salicylidenaminato)copper(II)]-water-methanol (1993)
    s.l. : American Chemical Society
    Inorganic chemistry 32 (1993), S. 5433-5436 
    Details
    ISSN: 1520-510X
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/ic00076a005
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  • 2
    Electronic Resource
    Electronic Resource
    Synthesis and magnetic properties of a binuclear copper(II) complex with a .mu.-1,2-squarato coordination mode. Crystal structure of (.mu.-1,2-squarato)bis[(N-(2-(diethylamino)ethyl]salicylidenaminato)aquacopper(II)] hydrate (1993)
    s.l. : American Chemical Society
    Inorganic chemistry 32 (1993), S. 3743-3747 
    Details
    ISSN: 1520-510X
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/ic00069a032
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  • 3
    Electronic Resource
    Electronic Resource
    Experimental and quantum-chemical investigation of the magnetic exchange mechanism in a series of (.mu.-terephthalato)bis[(polyamine)copper(II)] complexes (1986)
    s.l. : American Chemical Society
    Inorganic chemistry 25 (1986), S. 3684-3690 
    Details
    ISSN: 1520-510X
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/ic00240a033
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  • 4
    Electronic Resource
    Electronic Resource
    Tris(dialkyldieselenocarbamates) of arsenic, antimony, and bismuth (1973)
    s.l. : American Chemical Society
    Inorganic chemistry 12 (1973), S. 3015-3017 
    Details
    ISSN: 1520-510X
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/ic50130a059
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  • 5
    Electronic Resource
    Electronic Resource
    Mechanistic aspects of the chemical reactivity of Pt(II) dithiocarbonato complexes toward various nucleophiles: A theoretical study (1993)
    Springer
    Structural chemistry 4 (1993), S. 349-361 
    Details
    ISSN: 1572-9001
    Keywords: Platinum complexes ; frontier molecular orbitals ; nucleophilic substitution
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract EHMO-SCCC calculations have been used in the analysis of the electronic structure, chemical reactivity, and related properties of eight model platinum(II) complexes constituting the set of compounds formed in the reactions of planard 8-bis(dithiocarbonato) and/or bis-(dithiocarbamato)platinum(II) complexes with various nucleophiles. On the basis of the molecular orbital description of the complexes, the frontier molecular orbital approach of chemical reactivity, and the calculated potential energy surfaces, plausible mechanisms of their formation reactions and fluxional behavior have been deduced. Accordingly, a mechanism involving an early squarepyramidal transition state followed by a trigonal bipyramidal intermediate and a late distorted square-pyramidal transition state is proposed for the nucleophilic substitution of the one sulfur atom by the phosphine nucleophile in the Pt(S2COR)2 complex. Moreover, [Pt(S2COR)3]− is formed via a direct attack of the Pt(S2COR)2 by the ROCS2 − nucleophile through a charge-controlled nonrigid distorted square-pyramidal transition state. The inability of Pt(S2CNHR)2 to undergo analogous reactions is also discussed. An intramolecular mechanism is proposed for the conversion of [Pt(S2COR)3]− into [Pt(S2C=O)(S2COR)]−, which, upon reaction with an excess of phosphine gives Pt(S2C=O)(PH3)2, through a distorted trigonal bipyramidal transition state. The different reaction behavior of amines and/or phosphines with the xanthato complexes comparing to that of the ROCS2 − nucleophiles is also discussed. Finally, several suggestions concerning future experimental efforts are also proposed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00676830
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  • 6
    Electronic Resource
    Electronic Resource
    Chemical stability and reactivity of the 1∶1 and 2:1 halobis(N,N-dialkyldithiocarbamato)iron(III): Molecular halogen loose associations (1990)
    Springer
    Structural chemistry 1 (1990), S. 523-531 
    Details
    ISSN: 1572-9001
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract EHMO-SCCC calculations have been used to probe the molecular orbital interactions of 1:1 and 2∶1 charge-transfer complexes of halobis(N,N-dialkyldithiocarbamato)iron(III) complexes with molecular halogens, treated as “super molecules.” The molecular orbital structure of the compounds is being described in essentially the same way to that successfully applied in the cases ofπ-π, π-gs, and n-σ CT complexes. It is found that all types of orbital interactions (σ- and/orπ type) have a destabilizing effect on the complexes; hence, the forces of attachment have to be of the charge-transfer and van der Waals type, to offset this “molecular orbital-based” repulsion. The relative stability of the compounds is broadly discussed in terms of the calculated binding energies, which are found to depend on the nature of both constituent molecules. Moreover, orbital populations, two-center energy terms, and computed atomic charges of the “super molecules,” as compared to those of the constituent molecules, provide adequate information on the mechanism of the charge-transfer processes occurring upon complexation. It is important that weak bonding interactions between the constituent molecules do exist, but surprisingly directly, between the molecular halogens and the iron(III) central atoms, and not via the apical halogeno ligands. These bonding interactions, although not responsible for the stability of the compounds, account well for the observed magnetic behavior of the dimeric (2∶1) complexes and are of key importance in promoting intramolecular electron-transfer reactions responsible for the oxidation of half of the dithio ligands into the thiuram disulfides observed in some of the reactions of the iron(III) halobisdithiocarbamates with molecular halogens.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00674128
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  • 7
    Electronic Resource
    Electronic Resource
    Trisdithiocarbamates mass spectra mass spectra. Study of arsenic, antimony and bismuth Trisdithiocarbamate Complexes (1974)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 403 (1974), S. 87-94 
    Details
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Massenspektren von Trisdithiocarbamaten. Massenspektroskopische Untersuchung von Trisdithiocarbamat-Komplexen des Arsens, Antomons und WismutsZehn Trisdithiocarbamat-Verbindungen von Arsen, Antimon und Wismut wurden massenspektrometrisch untersucht. Ihre Fragmentationsweise und die Fragment-Ionen mit gleichen Strukturen werden diskutiert. Die Peaks der Molekül-Ionen wurden von allen Verbindungen nicht beobachtet. Die Fragment-Ionen mit der größten Massen-Zahl, die direkt aus den Molekül-Ionen hervorgehen, sind diejenigen mit einer um eine Dithiocarbamat-Gruppe kleineren Masseneinheit, was eine leichte Abspaltung einer Dithiocarbamat-Gruppe andeutet. Die beobachteten Peaks sind auf Elektronenstoß oder auf pyrolytische Zersetzung zurückzuführen. Die stärksten Peaks im oberen Massenzahl-Bereich aller Spektren entsprachen Polynuklear-Verbindungen der allgemeinen Formel MnSm, wobei M = As, Sb, Bi; S = Schwefel; n = 1, 2, 3, 4 und m = 0, 1, 2, 3, 4, 5 sind.
    Notes: Ten trisdithiocarbamate compounds of arsenic, antimony and bismuth are studied by mass spectrometry. Their fragmentation modes and the fragment ions with common structures are discussed. The molecular ion peaks were not observed in all compounds. The highest mass number fragment ions, which might be generated directly from the molecular ions, are those with less mass units, equal to a dithiocarbamate group; signifing a facile detaching of one of the dithiocarbamato groups. The observed peaks are attributed, either to electron impact or to pyrolytic decomposition. The most prominent peaks, in the higher mass number region of all the spectra, correspond to polynuclear compounds of the general formula MnSm, where M = As, Sb, Bi; S = sulfur; n = 1, 2, 3, 4 and m = 0, 1, 2, 3, 4, 5.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19744030111
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  • 8
    Electronic Resource
    Electronic Resource
    Benzene-Trisdithiocarbamate Complexes. Study on the Interaction of Benzene with Arsenic-, Antimony-, and Bismuth Trisdithiocarbamate Complexes by NMR Spectroscopy (1973)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 398 (1973), S. 88-96 
    Details
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Untersuchungen Über die Wechselwirkung von Benzol und Arsen-, Antimon- und Wismut-Trisdithiocarbamat-Komplexen durch NMR-Spektroskopie.Die Bildung von VAN DER WAALS-Komplexen zwischen Trisdithiocarbamaten (gelöste Substanz) und Benzol (Lösungsmittel) wird untersucht, Als scheinbare Stöchiometrie der vorgeschlagenen Komplexe wurde 1:1 gefunden und ihre Assoziationskonstanten aus der Solvens-Verschiebung erhalten. Assoziationkonstanten wurden auf die Polarität von C—N-Bindungen in den Dithiocarbamat-Molekeln bezogen.
    Notes: Solvent shifts induced by the ring current of benzene in several trisdithiocarbamates of arsenic, antimony and bismuth are studied by NMR Spectroscopy. Formation of VAN DER WAALS complexes between trisdithiocarbamates (solute) and benzene (solvent) are proposed. The apparent stoichiometry of the proposed complexes has been found 1:1 and their association constants have been determined from the solvent shifts. The observed solvens shifts and the obtained association constants are correlated to the polarity of C—N bonds in the molecules of dithiocarbamates.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19733980111
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  • 9
    Electronic Resource
    Electronic Resource
    Spectral and bonding properties of new o-, m-, and p-hydroxydithiobenzoate complexes of some trivalent open-shell central atoms studied by experimental and HMO quantum-chemical methods (1983)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 505 (1983), S. 53-66 
    Details
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Untersuchung von spektroskopischen und Bindungseigenschaften von neuen o-, m- und p-Hydroxybenzoid-Komplexen einiger dreiwertiger „open-shell“ Zentralatome mittels experimenteller und HMO-quantenchemischer MethodenNeue Komplexe von Cr(III), Fe(III) und Co(III) mit o-, m- und p-Hydroxydithiobenzoid-Liganden werden dargestellt und charakterisiert. Die Bindungseigenschaften dieser Komplexe werden auf Grund von HMO-quantenchemischen Berechnungen diskutiert. Aus der Abschätzung des Effektes der π-Bindung zwischen Metall und Liganden auf die CT-Energien im Falle der p-Hydroxydithiobenzoid-Komplexe wurden ihre Elektronenübergänge völlig charakterisiert; rationelle Werte werden für den Ligandenfeldparameter (10Dq) erhalten. Die Kristallfeldbanden konnten in den Spektren dieser Komplexe nicht erkannt werden, auf Grund der Überlagerung durch intensive CT-Banden. Aus HMO-Näherungen für die Interpretation elektronischer Spektren konnten wir, im Zusammenhang mit der Ligandenfeldbeschreibung der CT-Spektren, Ligandenfeldspektroskopische Parameter für alle untersuchten Komplexe sowie für die entsprechenden unsubstituierten Dithiobenzoid-Komplexe berechnen. Auf Grund der berechneten Werte von 10Dq können die untersuchten Liganden auf dem oberen Ende der spektrochemischen Reihe eingeordnet werden, was mit dem „low-spin“-Typ dieser Komplexe in Einklang ist.
    Notes: New complexes of Cr(III), Fe(III) and Co(III) with the o-, m- and p-hydroxydithiobenzoato ligands have been prepared and characterized. The bonding properties in these complexes are discussed in the light of HMO quantum-chemical calculations. By estimation of the effect of metal-ligand π-bonding on the electronic transition energies in the case of the p-hydroxydithiobenzoate complexes their electronic transitions have been fully characterized and reasonable values for the ligand field parameter, 10Dq, have been obtained. Crystal field bands could not be detected in the electronic spectra of these complexes, as they are obscured by the more intense charge transfer bands. Using the HMO approach for the interpretation of the electronic spectra in combination with the ligand field description of the charge transfer spectra we were able to calculate reasonable ligand field spectral parameters for all the complexes studied, as well as for the corresponding unsubstituted dithiobenzoate complexes. The calculated 10Dq values place the ligands under investigation at the upper end in the spectrochemical series of chelating dithio-ligands, a fact which is consistent with the low-spin type of these complexes.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19835051007
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  • 10
    Electronic Resource
    Electronic Resource
    Halogeno-Bi(piperidyldiselenocarbamate) Complexes of Arsenic, Antimony, and Bismuth (1975)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 417 (1975), S. 235-240 
    Details
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Halogeno-bis(piperidyldiselenocarbamat)-Komplexe von Arsen, Antimon und WismutEs wird die Darstellung von 12 neuen Piperidyldiselenocarbamat-(Pipdsc)-Komplexen des Arsens, Antimons und Wismuts beschrieben aus Tris (piperidyldiseleno-carbamat)-Komplexen mit Halogen. Aus spektroskopischen und chemischen Beobachtungen wird ein Strukturvorschlag für die Verbindungen des Typus XM(Pipdsc) 2 abgeleitet. Weiterhin werden die Komplexe mit den entsprechenden Schwefelverbindungen verglichen.
    Notes: The preparation of twelve new piperidyldyldiselenocarbamate complexes of Arsenic, Antimony, and Bismuth is described. The reaction of the tri(piperidyldiselenocarbamate) complexes of arsenic, antimony, and bismuth with halogens produces halogeno-bi(piperidyldiselenocarbamate) complexes of the general formula XM(Pipdsc) 2 (X = Cl, Br or I and Pipdsc = (CH 2) 5 NCSe 2, M = As, Sb, Bi). Possible structures are discussed for these new complexes based on spectral and chemical observations. The properties and the spectroscopic data of the prepared compounds are compared to those of the corresponding dithiocarbamates.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19754170308
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