Zirconium Oxalate

CAS

14536-19-7

Catalog Number

ACM14536197

Category

Main Products

Molecular Weight

267.26

Molecular Formula

C4O8Zr

MSDS COA Spec Sheet

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Specification

Synonyms

zirconium(4+) ion dioxalate

Appearance

White solid

Zirconium oxalate structure characterization

In (ZrOx), the zirconium atom is coordinated by four OH and two bidentate oxalates

Thomas, Rudy, et al. ACS omega 5.33 (2020): 21260-21270.

Zirconium dihydroxide oxalate Zr(OH)2(C2O4) (ZrOx) crystalline powder was obtained by precipitation and the structure was determined based on powder X-ray data. The three-dimensional (3D) framework observed in (ZrOx) results from the interconnection of zirconium hydroxide chains [Zr(OH)2]2+ and zirconium oxalate chains {Zr(C2O4)}2]. Single crystals of (H11O5)2[Zr2(C2O4)5(H2O)4 ] (H2Zr2O5) were obtained by evaporation. The structure contains dimeric anions [Zr2(C2O4 )5(H2O)4]2-, connected to hydroxide ions by hydrogen bonds, forming a 3D supramolecular framework. Addition of ammonium or alkali nitrates leads to the formation of single crystals of Na 2 [Zr(C2O4)3 ]·2H2O(Na2ZrOx3), M(H7O3)[Zr(C2O4)3]·H2O, M = K (KHZrOx3),
M = NH4(NH4HZrOx3), M(H 5O2)0.5 (H9O4) 0.5[Zr(C2O4)3], M
= Rb (RbHZrOx3), and M = Cs(CsHZrOx3). For these five compounds, the structure contains a ribbon [{ZrOx} ] formed by two Zr(C O) entities sharing two oxalates. In (Na2ZrOx3), the shared oxalates are in the cis position and the chain [Zr-Ox] is step-like with a Zr-Zr-Zr angle of 98.27(1)°. In other compounds, the shared oxalate is in the trans position and chain 1 ∞[Zr-Ox] has corrugations with Zr-Zr-Zr angles in the range of 140.34(1)-141.07(1)°. In the compound (MHZrOx3), the cohesion between the bands is ensured by the alkaline or ammonium cations and the hydroxide ions (H2O) for M = K, NH, (H2O) and (H2O) for M = Rb and Cs. During the thermal decomposition of the alkali-free zirconium oxalates (ZrOx), (H2Zr2Ox5), (NH4HZrOx3), amorphous zirconium oxide is formed accompanied by carbon; the carbon is oxidized to carbon dioxide at about 540 °C, accompanied by the crystallization of stable tetragonal zirconium oxide.
To determine the structure of ZrOx, powder X-ray diffraction data were recorded on a conventional D8 θ/θ diffractometer using radiation (1.5618 Å). The powder X-ray diffraction data were measured in the 2θ range of 5-120° with a step size of 0.02°. Powder pattern indexing was performed and the parameters a = 12.813(4) Å, b = 5.8882(14) The monoclinic unit cell has 200 nm and 100 nm Å, c = 6.7088(13) Å and β = 118.25(2)°. The complete crystal structure was obtained by the charge-flip method and then refined in the C2/c space group, giving Rand R factors of 3.36 and 5.01, respectively. Soft constraints were introduced on the usual isotropic displacement parameters for the O atoms. As is often the case in inorganic structure refinements, even from single crystal data, H atoms were introduced using geometrical constraints on distances and an isotropic displacement equal to 1.2 for the O atoms.

Effect of Zirconium Oxalate on Type 1 Collagen Fibers

Schematic representation of the interaction of collagen with zirconium

Haroun, Mahdi A., et al. Thermochimica acta 484.1-2 (2009): 4-10.

The stability of type I rat tail tendon (RTT) collagen by the cross-linking agents oxazolidine and zirconium oxalate was investigated to understand the effects on thermal, enzymatic and mechanical stability of collagen. The results showed that both oxazolidine and zirconium oxalate imparted thermal stability to collagen and oxazolidine showed a significant increase in peak temperature and enthalpy change compared to native RTT and zirconium oxalate tanned RTT. Oxazolidine tanned RTT fibers showed a decrease in both peak temperature and enthalpy change after urea treatment, indicating that the secondary structure of collagen may be altered after tanning. From the viscometry studies, it can be seen that oxazolidine forms carbocation intermediate species in solution, which has better cross-linking with collagen and therefore provides better enzymatic stability to collagen than zirconium. Zirconium does not seem to significantly change the tensile strength of RTT fibers under humid conditions as oxazolidine does.
The study used collagen fibers extracted from the tails of 6-month-old albino rats. The combed collagen fibers were washed with 0.9% NaCl at 5°C to remove adherent soluble proteins. The RTT were thoroughly washed with deionized water at 5°C. Four different tanning experiments were performed with these fibers. Two groups of tendons were treated with 2% and 5% zirconium oxalate at pH 2.5 for 24 h. Another group was tanned with 2% and 5% oxazolidine at pH 6 and 8 for 24 h. Measurement of samples The fiber diameter in wet conditions was measured using a filament micrometer attached to an optical microscope. The cross-sectional area of the fiber was calculated from the diameter assuming that the fiber was cylindrical. The cross-sectional area was compiled based on the average diameter measured at least five locations along the fiber length.

What is the molecular formula of zirconium oxalate?

The molecular formula of zirconium oxalate is C4H4O8Zr.

What is the molecular weight of zirconium oxalate?

The molecular weight of zirconium oxalate is 271.29 g/mol.

What is the IUPAC name of zirconium oxalate?

The IUPAC name of zirconium oxalate is oxalic acid;zirconium.

What is the InChIKey of zirconium oxalate?

The InChIKey of zirconium oxalate is DJSGOQDYBJSDQI-UHFFFAOYSA-N.

How many hydrogen bond donor counts does zirconium oxalate have?

Zirconium oxalate has 4 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does zirconium oxalate have?

Zirconium oxalate has 8 hydrogen bond acceptor counts.