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Zirconium(IV) tert-butoxide

Catalog Number
ACM2081121-1
CAS Number
2081-12-1
Product Name
Zirconium(IV) tert-butoxide
Structure
Category
Solution Deposition Precursors; Vapor Deposition Precursors
Synonyms
Tetrakis(tert-butanolato)zirconium
IUPAC Name
2-Methylpropan-2-ol;zirconium
Molecular Weight
387.71
Molecular Formula
C16H40O4Zr
Canonical SMILES
CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.[Zr]
InChI
InChI=1S/4C4H10O.Zr/c4*1-4(2,3)5;/h4*5H,1-3H3;
InChI Key
WRMYASGYMABHCC-UHFFFAOYSA-N
Melting Point
3 °C
Flash Point
185 °F
Purity
95%+
Density
0.985 g/mL at 25 °C (lit.)
Appearance
Slightly yellow liquid
Application
Zirconium tert-butoxide (ZTB) precursor is used to deposit thin films of Zirconia and other zirconium containing films by atomic layer deposition and chemical vapor deposition methods. Zirconium oxide thin films can also be grown at low temperatures, ranging from 150°C to 300°C, by the presence of moisture along with ZTB or by UV-enhanced atomic layer deposition (UV-ALD) process.
Storage
2-8 °C
Complexity
154
Covalently-Bonded Unit Count
5
Exact Mass
386.197359
Form
liquid
Formal Charge
0
Heavy Atom Count
21
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
4
MDL Number
MFCD00075085
Monoisotopic Mass
386.197359
Packaging
25 g in stainless steel cylinder
Rotatable Bond Count
0
Topological Polar Surface Area
80.9 Ų
Case Study

Synthesis of Hybrid Microspheres from Zirconium Tetra-Butoxide and Organic Copolymers

Toledo L, et al. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2018, 546, 91-98.

Hybrid microspheres can be successfully prepared from hydrated zirconia and organic copolymers, and the microspheres can be used in applications involving surface treatment, such as catalysis, adsorption, ion exchange, etc. The synthesis of hybrid microspheres is divided into two steps, namely the synthesis of P(ClVBTA-co-HEMA) microspheres and hybridization with the inorganic precursor zirconium tetra-butoxide [Zr(ButO-)4].
Synthesis of hybrid microspheres
· The synthesis of the poly(4-vinyl benzyl trimethyl ammonium chloride-co-2-hydroxy ethyl methacrylate), P(ClVBTA-co-HEMA), and microspheres was carried out by emulsion polymerization in a water-inoil (w/o) system.
· The synthesis of hybrid microspheres was carried out by impregnation of polymer microspheres with an inorganic precursor (IP) of Zr (ButO-)4, followed by a sol-gel reaction, leading to the oxide formation.
· The impregnation step included the study of the chemical precursor concentration (30-80 wt%), the solvent for impregnation (ethanol, 1,4-dioxane, 2-propanol, 1-butanol) and time (2-5 days).
· The polymeric microspheres were submerged in a solution of the inorganic precursor at room temperature and stirred at 250 rpm. After removing excess inorganic precursors by filtration, the impregnated microspheres were immersed in an ethanol/water 1:1 solution at 250 rpm for 24 h and finally dried in a 40 °C oven for 24 h.

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