Intercalation behavior of barium phenylphosphonate

Beneš, Ludvı́k; Melánová, Klára; Svoboda, Jan; Zima, Vı́tězslav

doi:10.1016/j.jpcs.2009.12.029

Cited by 6 publications

(2 citation statements)

References 13 publications

(17 reference statements)

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“…These compounds were found to have various metal/phosphorus ratios depending on the acidity of the reaction medium. 4,5 The powder X-ray patterns indicated that these compounds are layered. 5 Studies on alkali and alkaline earth metal phenylphosphinates are very rare in the literature.…”

Section: Introductionmentioning

confidence: 99%

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Evidences for Chelating Complexes of Lithium with Phenylphosphinic and Phenylphosphonic Acids: A Spectroscopic and DFT Study

Sunjuk

El‐Eswed

Dawoud

et al. 2014

Phosphorus, Sulfur, and Silicon and the Related Elements

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Lithium complexes were prepared with phenylphosphinic and phenylphosphonic acids. The complexes were studied in the solid state using Fourier transform infrared spectroscopy spectroscopy and in solution (methanol) using 1 H, 13 C, and 31 P Nuclear magnetic resonance spectroscopy (NMR) spectroscopy; the most preferred structures of the complexes were determined by density functional theory (DFT) computational method. Although methanol has a strong solvation effect on lithium ions and ligands, which causes dissociation of the complexes, significant changes of the NMR spectra of the complexes (relative to those of the free ligands) were observed. The new spectroscopic results indicate the presence of the phenylphosphinic acid tautomer (I: C 6 H 5 PH( O)OH) rather than that of phenyl-phosphorous acid (II: C 6 H 5 P(OH) 2 ) in deuterated methanol showing PH/PD exchange. On the other hand, tautomer I predominates in the complex with lithium without showing PH/PD exchange. The DFT PREPARATION OF LITHIUM COMPLEXES WITH PHENYLPHOSPHINIC 559calculations predict that tautomer I is the preferred structure in the case of free ligand and lithium complex. The absence of a PH/PD exchange in the complex is due to the formation of a chelating complex, rather than of a simple salt between lithium ion and the two oxygen atoms of I, which prevent tautomerization of I into II. DFT calculations support the formation of lithium chelating complexes. The lithium ion was found to affect the spectroscopic properties of phenylphosphinic acid more dramatically than those of phenylphosphonic acid.

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Section: Introductionmentioning

confidence: 99%

“…4,5 The powder X-ray patterns indicated that these compounds are layered. 5 Studies on alkali and alkaline earth metal phenylphosphinates are very rare in the literature. Phenylphosphinate complex of lithium was employed as a soil disinfectant; however, there is no detailed investigation of the structure of this compound.…”

Section: Introductionmentioning

confidence: 99%

Evidences for Chelating Complexes of Lithium with Phenylphosphinic and Phenylphosphonic Acids: A Spectroscopic and DFT Study

Sunjuk

El‐Eswed

Dawoud

et al. 2014

Phosphorus, Sulfur, and Silicon and the Related Elements

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Strontium Methylphosphonate Trihydrate: An Example of a New Class of Host Materials for Intercalation Reactions – Synthesis, Structure and Intercalation Behavior

et al. 2011

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A new compound with formula SrCH 3 PO 3 ·3H 2 O has been prepared, characterized by thermogravimetry, IR spectroscopy and powder X-ray diffraction, and its structure has been determined from single-crystal X-ray diffraction data. Strontium methylphosphonate trihydrate crystallizes in an orthorhombic system with space group Pbca (No. 61), Z = 8 and with lattice parameters a = 7.8838(6), b = 8.5173(5), c = 21.5272(15) Å. Primary alcohols, amines, and 1,2-diols with straight carbon chains were intercalated into this strontium methylphosphonate compound. For all three types of intercalate, a linear dependence of the interlayer distance on the number of carbon atoms in the aliphatic chain of the guest was found. From these results, the arrangements of the guest

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Influence of 1,2-alkanediols on the structure of their intercalates with strontium phenylphosphonate solved by molecular simulation and experimental methods

et al. 2016

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Strontium phenylphosphonate intercalates with 1,2-diols (from 1,2-ethanediol to 1,2-hexanediol) were synthesized and characterized by X-ray diffraction, thermogravimetry, chemical analysis, and molecular simulation methods. Prepared samples exhibit a very good stability at ambient conditions. Structural arrangement calculated by simulation methods suggested formation of cavities surrounded by six benzene rings. Each cavity contained one molecule of diol and one molecule of water for the 1,2-ethanediol to 1,2-butanediol intercalates. In the case of 1,2-pentanediol two types of cavities alternated: one with diol molecules and another one with two water molecules. In the 1,2-hexanediol intercalate the benzene rings created two types of cavities containing one or two diol molecules, respectively, and this conformational variability led to a more disordered arrangement with respect to the models with shorter alkyl chains. Coordination of the oxygen atoms of the diols to the strontium atoms of the host follows the same pattern for all 1,2-diol intercalates except the 1,2-hexanediol intercalate, where these oxygen atoms can be mutually exchanged at their positions. The calculated basal spacings and structural models are in good agreement with experimental basal spacings obtained from X-ray powder diffraction and with other experimental results.

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Intercalation behavior of barium phenylphosphonate

Cited by 6 publications

References 13 publications

Evidences for Chelating Complexes of Lithium with Phenylphosphinic and Phenylphosphonic Acids: A Spectroscopic and DFT Study

Evidences for Chelating Complexes of Lithium with Phenylphosphinic and Phenylphosphonic Acids: A Spectroscopic and DFT Study

Strontium Methylphosphonate Trihydrate: An Example of a New Class of Host Materials for Intercalation Reactions – Synthesis, Structure and Intercalation Behavior

Influence of 1,2-alkanediols on the structure of their intercalates with strontium phenylphosphonate solved by molecular simulation and experimental methods

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