Intercalation of 1-Alkanols and 1,ω-Alkanediols into NbOPO4and NbOAsO4

Beneš, Ludvı́k; Melánová, Klára; Zima, Vı́tězslav; Votinský, Jiřı́

doi:10.1006/jssc.1998.7916

Cited by 11 publications

(16 citation statements)

References 20 publications

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“…The observed di!erences in the basal spacings correspond to this idea because the distances of the terminal oxygens calculated from the bond distances and bond angles (11,12) decrease in an order 1,4-butanediol (6.20 A > )'2-butyne-1,4-diol (5.75 A > )'cis-2-butene-1,4-diol (5.62 A > ). On the other hand, the 1,4-butanediol molecules are tilted at an angle of 743 to the host layers in the niobyl phosphate intercalate (2). For the cis-2-butene-1,4-diol intercalate, it is presumed that the guest molecules are also tilted to the host layers due to the lower basal spacing of this intercalate.…”

Section: Resultsmentioning

confidence: 97%

“…Determination of the composition of vanadyl phosphate intercalated with 2,3-butanediol was not possible due to their instability in air. As both starting propanol intercalates*VOPO ) 2C H OH and NbOPO ) 2C H OH*do not contain water (2,8), the presence of water molecules in the interlayer space of all products can be excluded.…”

Section: Resultsmentioning

confidence: 99%

“…In recently published articles (1,2) we have shown that the reaction of vanadyl and niobyl phosphates with 1, -alkanediols produces layer-type complexes of the formula MOPO ) C L H L (OH) (M"V, Nb; n"2}10). The structure of these complexes retains planar (MOPO ) layers present in the original hosts.…”

Section: Introductionmentioning

confidence: 99%

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Intercalates of Vanadyl and Niobyl Phosphates with C4 Diols

Beneš¹,

Melánová²,

Zima³

2000

Journal of Solid State Chemistry

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Section: Resultsmentioning

confidence: 97%

Section: Resultsmentioning

confidence: 99%

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Intercalates of Vanadyl and Niobyl Phosphates with C4 Diols

Beneš¹,

Melánová²,

Zima³

2000

Journal of Solid State Chemistry

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“…Preparation of Intercalates. The propanol intercalates were prepared by suspending microcrystalline host in dry propanol and subsequent short exposure (1−10 min) to a microwave field. , The intercalation compounds were obtained by reintercalation reaction of the propanol intercalate with the corresponding host. The propanol intercalate (1 g) was suspended in ca.…”

Section: Methodsmentioning

confidence: 99%

Intercalation of Poly(oxyethylene) Compounds into the MOXO₄ (M = V, Nb; X = P, As) Host Lattice

et al. 1999

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Diethylene glycol (DEG), triethylene glycol (TEG), poly(ethylene glycol)s (PEG 200, PEG 400, and PEG 1000), and tripropylene glycol (TPG) were intercalated into vanadyl phosphate and isostructural niobyl phosphate and arsenate. X-ray powder diffraction patterns as a function of temperature were also measured. Depending on the temperature of the reaction, two phases were formed. Two types of VOPO 4 intercalates were formed depending on the temperature of the reaction (40 and 80 °C). The high-temperature phase was also formed by heating the low-temperature product. All of the intercalates are stable in dry environment but decompose slowly in humid air. It is presumed that the chains of the guest are deposited parallel to the host layer with every other oxygen atom of the guest coordinated to the vanadium or niobium atoms of the host layer. The chains are arranged in a bimolecular or monomolecular way in the interlayer space.

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“…The intercalation compounds of 1-alkanols with VOPO 4 were obtained by suspending microcrystalline VOPO 4 ·2H 2 O in dry liquid alcohol. The reaction mixture was placed in a 15 ml glass flask equipped with a reflux condenser and put into a waveguide of a microwave generator with stirring and heating and exposed to a microwave field for 10 minutes [6,7]. After cooling, the solid product formed was filtered off and dried at room temperature under nitrogen.…”

Section: Experimental Basis For the Strategy Of Modelingmentioning

confidence: 99%

Modeling in Structure Analysis of Vanadyl Phosphate Intercalated with 1-Alkanols

Čapková¹,

Melánová

Beneš

et al. 2000

J Mol Model

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IntroductionVanadyl phosphate-and zirconium phosphate-alkanol intercalates may be considered as very good starting materials for the intercalation of other polar organic molecules. [1,2] Previous X-ray diffraction studies of vanadyl phosphatealkanol intercalate [3] revealed irregularities in basal spacing increments depending on the alkyl chain length. Comparing the experimental basal spacing for VOPO 4 -ethanol d = 13.17 Å, VOPO 4 -propanol d = 14.36 Å and VOPO 4 -butanol d = 17.90 Å, one can see that one additional carbon atom causes the increment of basal spacing ∆d = 1.19 Å in the case of propanol and 3.54 Å in the case of butanol. In the present work we have used molecular mechanics simuAbstract Molecular mechanics simulations supported by X-ray powder diffraction measurements have been used to investigate the structure of vanadyl phosphate intercalated with 1-alkanols C n H 2n+1 OH 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 d exp and calculated d calc values of basal spacing showed the good agreement of modeling with x-ray powder diffraction. While we obtained d calc (Univ) = 13.05 Å for vanadyl phosphate-ethanol using the Universal force field (d exp =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 d calc (Tripos) = 14.49 Å, compared with an experimental value of d exp =14.36 Å. For vanadyl phosphate-butanol d calc (Tripos) = 17.71 Å and d exp =17.90 Å.

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Intercalation of 1-Alkanols and 1,ω-Alkanediols into NbOPO4and NbOAsO4

Cited by 11 publications

References 20 publications

Intercalates of Vanadyl and Niobyl Phosphates with C4 Diols

Intercalates of Vanadyl and Niobyl Phosphates with C4 Diols

Intercalation of Poly(oxyethylene) Compounds into the MOXO₄ (M = V, Nb; X = P, As) Host Lattice

Modeling in Structure Analysis of Vanadyl Phosphate Intercalated with 1-Alkanols

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Intercalation of 1-Alkanols and 1,ω-Alkanediols into NbOPO4and NbOAsO4

Cited by 11 publications

References 20 publications

Intercalates of Vanadyl and Niobyl Phosphates with C4 Diols

Intercalates of Vanadyl and Niobyl Phosphates with C4 Diols

Intercalation of Poly(oxyethylene) Compounds into the MOXO4 (M = V, Nb; X = P, As) Host Lattice

Modeling in Structure Analysis of Vanadyl Phosphate Intercalated with 1-Alkanols

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Intercalation of Poly(oxyethylene) Compounds into the MOXO₄ (M = V, Nb; X = P, As) Host Lattice