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Structure identification of Ti(IV) clusters in low-temperature TiO2 crystallization: creating high-surface area brush-shaped rutile TiO2
CrystEngComm ( IF 3.1 ) Pub Date : 2017-08-29 00:00:00 , DOI: 10.1039/c7ce00928c
Kazuhiro Manseki 1, 2, 3, 4 , Kazuki Saka 1, 2, 3, 4 , Masaki Matsui 2, 3, 4, 5 , Saeid Vafaei 6, 7, 8, 9 , Takashi Sugiura 1, 2, 3, 4
Affiliation  

We demonstrate for the first time a controlled reaction of Cl-coordinating Ti(IV) clusters in low-temperature hydrolysis (27 °C) to create large-surface area rutile TiO2 crystals. Trinuclear Ti(IV) cluster species were produced by the partial hydrolysis of an amorphous TiO2 derived from TiCl4. The structurally optimized cluster had a pseudo-cubane structure with edge-shared Ti(IV) octahedra exhibiting unique stacked electron density units. It is postulated that breaking of Ti–OH bonds in the cluster and the intermolecular assembly of the clusters during further polycondensation reactions resulted in the formation of corner-shared Ti(IV) octahedra. The controlled stability of the Ti(IV) clusters owing to reaction solvents enables the creation of rutile TiO2 crystals with intertwined brush-shaped TiO2 single crystal domains, with a large surface area of up to 201 m2 g−1. Understanding low-temperature reactions of transition-metal cluster intermediates would benefit the design criteria of many transition-metal oxide crystals for versatile applications.

中文翻译:

低温TiO 2结晶过程中Ti(IV)团簇的结构鉴定:产生高表面积的刷状金红石型TiO 2

我们首次证明了在低温水解(27°C)中Cl配位的Ti(IV)团簇的受控反应可产生大表面积的金红石型TiO 2晶体。三核Ti(IV)簇物质是通过部分水解TiCl 4衍生的无定形TiO 2产生的。在结构上优化的簇具有假古巴纳结构,其边缘共享的Ti(IV)八面体展现出独特的堆叠电子密度单元。据推测,在进一步的缩聚反应中,团簇中的Ti-OH键断裂和团簇的分子间组装导致形成了角共享的Ti(IV)八面体。由于反应溶剂的作用,Ti(IV)团簇的可控稳定性使金红石型TiO 2晶体具有交织的刷状TiO 2单晶畴,表面积高达201 m 2 g -1。了解过渡金属簇中间体的低温反应将有益于许多用途广泛的过渡金属氧化物晶体的设计标准。
更新日期:2017-09-15
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