Aqueous solution chemistry of zirconium(IV). 1. Kinetic studies on hydrogen ion and general acid (HX) induced dissociations of the tetrameric ion [Zr4(OH)8(H2O)16]8+

Devia, D. H.; Sykes, A. Geoffrey

doi:10.1021/ic50217a054

Cited by 43 publications

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“…In H 2 O solution, the structure of ZOC consists of a cyclic tetrameric units derived from crystalline ZOC, as reported by Devia and Sykes. 12 Summarizing the EXAFS results of ZOC dissolved in H 2 O, we conclude that the use of these parameters in the simulation of the EXAFS spectra is reasonable. The errors were estimated according to the Report on Standards and Criteria in XAFS Spectroscopy.…”

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confidence: 64%

Preparation of polyzirconoxane from zirconium oxychloride octahydrate and ethylene glycol as a precursor for zirconia ceramics

Gunji¹,

Yamamoto²,

Hanaoka³

et al. 2000

Appl. Organometal. Chem.

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An Erratum has been published for this article in http://www3.interscience.wiley.com:81/cgi-bin/abstract/78502935/START The preparation of polyzirconoxanes (EG‐PZO) was investigated by a one‐pot reaction of zirconium oxychloride octahydrate with ethylene glycol. Triethylamine was added dropwise into a mixture of zirconium oxychloride octahydrate, ethylene glycol and methanol to give EG‐PZO with a good spinnability and stability to self‐condensation. The 1H NMR spectrum, IR spectrum, analytical data and expanded X‐ray absorption fine‐structure analysis indicated that EG‐PZO consisted of Zr < (OH)2 > Zr linkages as a main chain with pendant 2‐hydroxyethoxy groups, chloro groups and water. The 3Y2O3–97ZrO2 ceramic fibers were prepared by sintering the precursor fibers after the addition of Y(acac)3 (acac = acetoacetate) to EG‐PZO. Copy‐right © 2000 John Wiley & Sons, Ltd.

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confidence: 64%

Preparation of polyzirconoxane from zirconium oxychloride octahydrate and ethylene glycol as a precursor for zirconia ceramics

Gunji¹,

Yamamoto²,

Hanaoka³

et al. 2000

Appl. Organometal. Chem.

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“…Based on X-ray absorption spectroscopy, EXAFS and XANES, zirconium n-butoxide in n-butanol was described as consisting of asymmetric tetramers, Zr 4 (BuO) 16 [10]. A similar zirconium tetramer structure with double hydroxo bridging ligands has also been established by X-ray diffraction studies [11]. Bauer et al proposed a symmetric trimer structure for zirconium nbutoxide [12].…”

Section: Introductionmentioning

confidence: 99%

“…Its structure has recently been the focus of intense study, and the results of this research seem to be Electronic supplementary material The online version of this article (doi:10.1007/s00894-011-1257-3) contains supplementary material, which is available to authorized users. controversial [10][11][12][13]. Based on X-ray absorption spectroscopy, EXAFS and XANES, zirconium n-butoxide in n-butanol was described as consisting of asymmetric tetramers, Zr 4 (BuO) 16 [10].…”

Section: Introductionmentioning

confidence: 99%

DFT modeling, UV-Vis and IR spectroscopic study of acetylacetone-modified zirconia sol-gel materials

et al. 2011

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Theoretical and spectroscopic studies of a series of monomeric and dimeric complexes formed through the modification of a zirconium butoxide precursor with acetylacetone and subsequent hydrolysis and/or condensation have been performed by applying DFT/B3LYP/6-31++G(d) and highly accurate RI-ADC(2) methods as well as IR and UV-Vis transmittance and diffuse reflectance spectroscopies. Based on DFT model calculations and simulated and experimental UV-Vis and IR spectra of all the studied structures, the most probable building units of the Zr(IV)-AcAc gel were predicted: the dimeric double hydroxo-bridged complex Zr(2)(AcAc)(2)(OH)(4)(OH)(2br) 9 and the monooxo-bridged complex Zr(2)(AcAc)(2)(OH)(4)O(br)·2H(2)O 12. In both structures, the two AcAc ligands are coordinated to one Zr atom. It was shown that building units 9 and 12 determine the photophysical and vibrational properties of the gel material. The observed UV-Vis and IR spectra of Zr(IV)-AcAc gel were interpreted and a relation between the spectroscopic and structural data was derived. The observed UV-Vis bands at 315 nm and 298/288 nm were assigned to partial ligand-metal transitions and to intra-/inter-AcAc ligand transitions, respectively.

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“…The role of HCO 3 À is somewhat specific and not only limited to a buffering effect. A possible explanation is that the proton of HCO 3 À may react with hydroxo bridges via a mechanism analogous to the one proposed by Devia and Sykes [19] for the dissociation of the tetrameric ion [Zr 4 (OH) 8 , which seems more appropriate (see Fig. 8, D).…”

Section: Indicates That the Tetracarbonato Complex [Zr(co 3 ) ]mentioning

confidence: 88%

Aqueous Chemistry of Zirconium(IV) in Carbonate Media

Veyland

Dupont

Rimbault

et al. 2000

HCA

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The interactions between carbonate ions and zirconium oxychloride are studied by potentiometry, dialysis, and 13C‐ and 17O‐NMR spectroscopy in aqueous media. The nature of the soluble carbonatohydroxo complexes depends on the proportions of hydrogencarbonate and carbonate ions in solution before the addition of zirconium oxychloride. Carbonate media lead to polynuclear entities containing no more than two complexed carbonate ions per Zr4+. The presence of hydrogencarbonate favors the formation of less condensed and more carbonated complexes such as [Zr(CO3)4]4−. The polycondensation degree of the species decreases when the number of carbonates linked per Zr4+ increases. In all complexes, the carbonate is bidentate, and the metal atoms are linked via hydroxo bridges. The complexation of carbonate with Zr4+ occurs for a total carbonate concentration higher than 0.1M. Consequently, in natural medium, the speciation of this metal is governed only by the formation of hydroxo complexes.

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Aqueous solution chemistry of zirconium(IV). 1. Kinetic studies on hydrogen ion and general acid (HX) induced dissociations of the tetrameric ion [Zr4(OH)8(H2O)16]8+

Abstract: (H2O),6 13+.

Cited by 43 publications

References 0 publications

Preparation of polyzirconoxane from zirconium oxychloride octahydrate and ethylene glycol as a precursor for zirconia ceramics

Preparation of polyzirconoxane from zirconium oxychloride octahydrate and ethylene glycol as a precursor for zirconia ceramics

DFT modeling, UV-Vis and IR spectroscopic study of acetylacetone-modified zirconia sol-gel materials

Aqueous Chemistry of Zirconium(IV) in Carbonate Media

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