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  • 1
    Electronic Resource
    Electronic Resource
    Modeling in Structure Analysis of Vanadyl Phosphate Intercalated with 1-Alkanols (2000)
    Springer
    Journal of molecular modeling 6 (2000), S. 9-15 
    Details
    ISSN: 0948-5023
    Keywords: Keywords Vanadyl phosphate-alkanol intercalates, Molecular mechanics, Structure analysis
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Molecular mechanics simulations supported by X-ray powder diffraction measurements have been used to investigate the structure of vanadyl phosphate intercalated with 1-alkanols CnH2n+1OH for n = 2, 3, 4. Modeling revealed the specific features and differences in arrangement of alkanol molecules with different chain length, depending on the relation between the parameters of active sites network and size of guest molecules. This result enabled us to explain the irregularities in dependence of basal spacing on the chain length. The comparison of experimental dexp and calculated dcalc values of basal spacing showed the good agreement of modeling with x-ray powder diffraction. While we obtained dcalc(Univ) = 13.05 Å for vanadyl phosphate-ethanol using the Universal force field (dexp=13.17 Å), for vanadyl phosphate-propanol and vanadyl phosphate-butanol better agreement with experiment was obtained using the Tripos force field. In the case of vanadyl phosphate-propanol the calculated basal spacing dcalc(Tripos) = 14.49 Å, compared with an experimental value of dexp=14.36 Å. For vanadyl phosphate-butanol dcalc(Tripos) = 17.71 Å and dexp=17.90 Å.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/PL00010722
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  • 2
    Electronic Resource
    Electronic Resource
    Molecular Mechanics Simulations in Structure Analysis of Intercalate VOPO4·2CH3CH2OH (1998)
    Springer
    Journal of molecular modeling 4 (1998), S. 150-157 
    Details
    ISSN: 0948-5023
    Keywords: Molecular mechanics ; Structure of intercalates ; Vanadyl phosphate
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Molecular mechanics simulations using Cerius2 combined with X-ray diffraction and supported with vibrational spectroscopy have been used to investigate the layered structure of vanadyl phosphate VOPO4 intercalated with ethanol. This intercalated structure exhibits certain degree of disorder, which affects the diffraction diagram and obstructs the conventional structure analysis based on diffraction methods only. Present structure analysis is focused to the crystal packing in the interlayer space and layer stacking in the intercalate. The bilayer arrangement of ethanol molecules in the interlayer has been found, giving the basal spacing d = 13.21 Å, experimental d-value obtained from X-ray diffraction is 13.17 Å. One half from the total number of CH3CH2OH molecules is anchored with their oxygens to VOPO4 layers to complete vanadium octahedra and their orientation is not very strictly defined. The second half of ethanoles is linked with hydrogen bridges to the anchored etahanoles and sometimes also to the layer oxygens. Positions and orientations of these unachored ethanoles with respect to VOPO4 layers exhibit certain degree of disorder, resulting in the disorder in layer stacking. Molecular mechanics simulations revealed the character of this displacement disorder in layer stacking and enabled to determine the components of the displacement vector.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/s0089480040150
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  • 3
    Electronic Resource
    Electronic Resource
    Electrical and optical properties of Ge20Sb15−xBixBi65 glasses (1986)
    Springer
    Journal of materials science 21 (1986), S. 488-492 
    Details
    ISSN: 1573-4803
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: Abstract Preliminary results of a study on the preparation, optical and electrical properties of Ge20Sb15-xBixS65 glasses are presented. It is shown that the substitution of antimony by bismuth atoms results in the red shift of the short wave length absorption edge in decreasing resistivity and in the appearance of n-type conductivity. The p to n transition is in the vicinity of 3.5 〈 × 〈 5.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01145512
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  • 4
    Electronic Resource
    Electronic Resource
    Molecular intercalates (1992)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 14 (1992), S. 19-24 
    Details
    ISSN: 1573-1111
    Keywords: Intercalation ; layered lattice ; interaction
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The paper deals with the relations between host lattices and guest molecules. Several types of interaction of the guest molecules and the host material are explained and some conclusions are made about the arrangement of various guest molecules in the van der Waals' gap.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01041362
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  • 5
    Electronic Resource
    Electronic Resource
    Intercalation of 1-Alkanol Binary Mixtures into the Layered Structure of Vanadyl Phosphate (1999)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 33 (1999), S. 391-402 
    Details
    ISSN: 1573-1111
    Keywords: intercalation ; 1-alkanols ; vanadyl phosphate ; mixed layer-type complexes ; x-ray powder diffraction
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Mixed intercalates VOPO4.C2H5 OH.C4 H9OH, VOPO4.C3H7 OH.C5H11OH, VOPO4.C3H7 OH.C6H13OH and VOPO4.C4H9 OH.C6H13OH have been prepared by reaction of polycrystalline vanadyl phosphate dihydrate with liquid mixtures of the 1-alkanols in a microwave field. The same mixed layer-type complexes were also obtained as intermediary products of exchange reactions consisting in substitution of one alkanol bound in the solid intercalate by another alkanol introduced in the form of vapour. The composition of products has been determined, and the basal spacing of all the mixed layer-type complexes prepared has been found by diffraction. A structural principle is suggested which governs the depositing of two kinds of 1-alkanol molecules (differing in the lengths of their aliphatic chains) while acting as guests in the layered structure of vanadyl phosphate.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1008046724727
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  • 6
    Electronic Resource
    Electronic Resource
    A kinetic study of the intercalation of ethanol into vanadyl phosphate (1996)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 26 (1996), S. 311-319 
    Details
    ISSN: 1573-1111
    Keywords: Intercalation ; X-ray powder diffraction ; thermomechanical analysis ; volumetry ; vanadyl ; phosphate ; ethanol ; kinetics
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The course of intercalation of ethanol into VOPO4 has been studied by X-ray diffraction, thermomechanical analysis and a volumetric method. In all cases the kinetic curves were observed to have a sigmoidal shape. A model, based on the Avrami equation, has been proposed for description of the kinetic behavior. The activation energy of intercalation based on this model has been determined. The existence of the advancing phase boundary in the system during intercalation has been confirmed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01053548
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  • 7
    Electronic Resource
    Electronic Resource
    Possible Mechanisms of Intercalation (1998)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 31 (1998), S. 275-286 
    Details
    ISSN: 1573-1111
    Keywords: intercalation ; mechanism ; kinetics ; vanadyl phosphate
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Recent knowledge of the kinetics and intercalation mechanisms are summarized and accompanied by examples of intercalation reactions of water and ethanol into anhydrous vanadyl phosphate and redox intercalation of alkali metal cations into vanadyl phosphate dihydrate. Three possible mechanisms of intercalation are presented which are based on: (i) a concept of exfoliation of layers; (ii) the formation of stages and randomly stacked layers; (iii) co-existence of intercalated and non-intercalated parts of crystals of the host separated by an advancing phase boundary. The corresponding kinetic curves are ascribed to mechanisms (ii) and (iii).
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1007976213743
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  • 8
    Electronic Resource
    Electronic Resource
    Intercalation of 1,2-alkanediols into Vanadyl and Niobyl Phosphate (2000)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 36 (2000), S. 301-309 
    Details
    ISSN: 1573-1111
    Keywords: vanadyl phosphate ; niobyl phosphate ; intercalation ; alkanediols
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Intercalation compounds of VOPO4and NbOPO4 with 1,2-alkanediols (from C3 to C16)have been prepared. The diol molecules are placedbetween host layers in a bimolecular way with theiraliphatic chains tilted at an angle of 70°. Itwas found that the intercalates contain 1.5 moleculesof diol per formula unit. Three ways of bonding of thediol molecules to the host layers are proposed. Twomolecules of diol are coordinated to the metal atomsby their first and second oxygen, respectively. Thethird diol molecule is anchored in the interlayerspace by H-bonds.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1008066629211
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  • 9
    Electronic Resource
    Electronic Resource
    Formation of a disordered layer lattice during the intercalation of water into anhydrous vanadyl phosphate (1994)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 20 (1994), S. 381-391 
    Details
    ISSN: 1573-1111
    Keywords: Intercalation ; X-ray powder diffraction ; vanadyl phosphate
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The course of intercalation of water into α1-VOPO4 has been studied by thermomechanical analysis and X-ray diffraction. Neither formation of vanadyl phosphate monohydrate nor staging were observed during the intercalation. The broadening and the shift of the positions of the lines in the diffractograms have been explained by the random stacking of intercalated and nonintercalated layers in the sample.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00708882
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  • 10
    Electronic Resource
    Electronic Resource
    Volumetric method for following the rate of intercalation of liquid molecular guests into layered hosts (1993)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 15 (1993), S. 71-78 
    Details
    ISSN: 1573-1111
    Keywords: Intercalation ; rate of intercalation ; observing intercalation processes ; change of volumes of intercalating systems ; vanadyl phosphate ; vanadyl sulfate
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract A new experimental method is suggested for the kinetic measurements of intercalation reactions in systems formed by a polycrystalline layered host and a liquid molecular guest. The method is based on the fact that the molecular guest decreases its molar volume on entering the space between the host layers. Hence the volume of the system in which an intercalation process takes place is measurably decreased. The time course of the intercalation process can thus be monitored by measuring the volume change of the system. The method has been used to obtain kinetic data about heterogeneous intercalations of some liquid aliphatic compounds into layered structures of anhydrous vanadyl phosphate and sulfate.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00706475
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