Discrete ionic complexes {ONO}M(CHPh)((η-Ph)CHB(CF)) (M = Ti, 2-Ti; Zr, 2-Zr) have been prepared from the parent neutral dibenzyl precursors and B(CF). Also, a neutral dichloro complex {ONO}ZrCl(MeNH) (3) was synthesized by the reaction of a proligand {ONO}H (1-H2) with (MeN)ZrCl(DME). The compounds were characterized by NMR spectroscopy and X-ray crystallography (for 2-Zr and 3). In the solid state, both 2-Zr and 3 feature meso-like binding of the ligand. VT NMR studies of 2-Ti and 2-Zr revealed that the former species dissociates in solution to form an outer-sphere ion pair (OSIP) that features a complicated dynamic behavior, while the latter compound retains an inner-sphere ion pair (ISIP) structure that interconverts between C-symmetric (meso-like) and C-symmetric (rac-like) conformations. The mechanism of this interconversion was assessed by DFT calculations and the corresponding barrier for the straightforward interconversion was calculated ().
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http://dx.doi.org/10.1039/c6dt04680k | DOI Listing |
Chemistry
December 2024
Department of Chemical Engineering and Materials Science, Yuan Ze University, Taoyuan, 32003, Taiwan.
Nano-sized high-entropy materials (HEMs) recently received more attention to researchers due to their superior electrochemical catalytic properties. HEMs comprise at least five elements with or without metals and are synthesized through solid-state reactions and solution-mediated techniques. The presence of many elements in these HEMs result in a high mixing entropy and facilitates the formation of stable solid solutions in fundamental crystal structures.
View Article and Find Full Text PDFRSC Adv
July 2024
Faculty of Chemical Engineering, Ho Chi Minh City University of Technology (HCMUT) 268 Ly Thuong Kiet Street, District 10 Ho Chi Minh City Vietnam.
The current development of technology has highlighted the necessity of compounds that enhance the durability and performance of alkali-ion batteries. The anodes of these batteries need to overcome the challenges of low dc-conductivity at ambient temperatures and interfacial resistance between the solid-state electrolyte. By conducting large-scale molecular dynamics simulations, we investigated the transport properties of LiTiO and LiZrO mono- and bi-crystals, as well as LiTiO@LiZrO composites.
View Article and Find Full Text PDFACS Omega
June 2024
Murata Manufacturing Co., Ltd., 1-10-1 Higashikotari, Nagaokakyo-shi, Kyoto 617-8555, Japan.
In order to obtain thermally stable thin-film materials with high dielectric constant, ABO thin films (SrTaO, SrNbO, LaZrO, and LaTiO) containing Sr or La and their solid solutions were grown on Pt/Ti/SiO/Si substrates by RF sputtering and their crystal structures and dielectric properties were investigated. The SrTaO and LaTiO films exhibit highly oriented crystal structures. By contrast, the SrNbO and LaZrO films exhibit polycrystalline structures.
View Article and Find Full Text PDFJ Phys Condens Matter
May 2024
School of Physical Sciences, Indian Institute of Technology Mandi, Mandi 175075, (H.P.), India.
The disordered pyrochlore oxide DyZrOshows the signatures of field-induced spin freezing with remnant zero-point spin-ice entropy at 5 kOe magnetic field. We have performed zero-field and longitudinal field Muon spin relaxation (SR) studies on DyZrO. Our zero field studies reveal the absence of both long-range ordering and spin freezing down to 62 mK.
View Article and Find Full Text PDFMaterials (Basel)
February 2024
Unità di Ricerca del Consorzio Interuniversitario Nazionale per la Scienza e Tecnologia dei Materiali (INSTM), Dipartimento di Ingegneria Meccanica, Chimica, e dei Materiali, Università degli Studi di Cagliari, via Marengo 2, 09123 Cagliari, Italy.
The reactive spark plasma sintering (R-SPS) method was compared in this work with the two-step SHS-SPS route, based on the combination of the self-propagating high-temperature synthesis (SHS) with the SPS process, for the fabrication of dense (HfMoTiTaNb)B-SiC and (HfMoTiTaZr)B-SiC ceramics. A multiphase and inhomogeneous product, containing various borides, was obtained at 2000 °C/20 min by R-SPS from transition metals, BC, and Si. In contrast, if the same precursors were first reacted by SHS and then processed by SPS under the optimized condition of 1800 °C/20 min, the desired ceramics were successfully attained.
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