Search results for "Zircon"

Water and carbon oxides on monoclinic zirconia: experimental and computational insights

2014

Zirconium oxide (ZrO2, zirconia) is an interesting catalytic material to be used in biomass conversion, e.g., gasification and reforming. In this work, we show that reducing and hydrating pretreatments affect the surface sites on monoclinic zirconia. The multitechnique approach comprises temperature-programmed surface reactions (TPSR) under CO and CO2 at 100-550 °C, in situ DRIFTS investigations of the surface species and density functional theory (DFT) calculations. The key findings of the work are: (1) formates are formed either directly from gas-phase CO on terminal surface hydroxyls or via the linear CO surface species that are found exclusively on the reduced zirconia without water tre…

NMR Spectroscopic Characterization and DFT Calculations of Zirconium(IV)-3,3′-Br2–BINOLate and Related Complexes Used in an Enantioselective Friedel–…

2012

Experimental and theoretical studies on the structure of several complexes based on (R)-3,3'-Br-2-BINOL ligand and group (IV) metals used as catalysts in an enantioselective Friedel-Crafts alkylation of indoles with alpha,beta-unsaturated ketones have been carried out. NMR spectroscopic studies of these catalysts have been performed, which suggested that at room temperature the catalysts would form a monomeric structure in the case of Ti-IV and a dimeric structure in the cases of Zr-IV and Hf-IV. Density functional theory (DFT) calculations clearly corroborate the conclusions of these experimental spectroscopic studies. The dimeric structure with a doubly bridged motif [Zr-2(IV)(mu-(R)-3,3'…

ChemInform Abstract: Catalytic Enantioselective Friedel—Crafts Alkylation at the 2-Position of Indole with Simple Enones.

2008

Abstract A procedure for the enantioselective alkylation of indole at the 2-position with simple non-chelating enones is described for the first time. Reaction between 4,7-dihydroindole and enones in the presence of zirconium(IV)–BINOL complexes, followed by a p -benzoquinone oxidation gives indoles alkylated at the 2-position with good yields and moderate enantioselectivities.

Catalytic enantioselective Friedel–Crafts alkylation at the 2-position of indole with simple enones

2007

Abstract A procedure for the enantioselective alkylation of indole at the 2-position with simple non-chelating enones is described for the first time. Reaction between 4,7-dihydroindole and enones in the presence of zirconium(IV)–BINOL complexes, followed by a p -benzoquinone oxidation gives indoles alkylated at the 2-position with good yields and moderate enantioselectivities.

Synthesis of Functionalized Indoles with a Trifluoromethy-Substituted Stereogenic Tertiary Carbon Atom Through an Enantioselective Friedel-Crafts Alk…

2010

[EN] Chiral complexes of BINOL-based ligands with zirconium tert-butoxide catalyze the Friedel-Crafts alkylation reaction of indoles with beta-trifluoromethyl-alpha,beta-unsaturated ketones to give functionalized indoles with an asymmetric tertiary carbon center attached to a trifluoromethyl group. The reaction can be applied to a large number of substituted alpha-trifluoromethyl enones and substituted indoles. The expected products were obtained with good yields and ees of up to 99%.

Edited by Ilan Marek: Titanium and zirconium in organic synthesis. Wiley-VCH, Weinheim, 2002. xxv?+?512 pp. Price �95.00. ISBN 3-527-30428-2

2002

Review: monoclinic zirconia, its surface sites and their interaction with carbon monoxide

2015

This review concerns monoclinic zirconia, its surface sites and their probing with carbon monoxide. The surface sites and their modifications using thermal treatments with vacuum or reactive gases are also included. In this work, we present information on the nature and manipulation of hydroxyl species and their quantities on the surface, the different types of cationic sites where CO is adsorbed linearly and their energetics, as well as the surface sites and dynamics of formate formation. We also compare the surface concentrations of the different surface species to better understand the extent and nature of the interactions. Finally, we discuss some of the remaining open questions and how…

Electrochemistry of Iron-Doped Zircon and Zirconia Materials and Electrocatalytic Effects on Nitrite Oxidation and Reduction

2014

Sapphire-bearing magmatic rocks trace the boundary between paleo-continents: A case study of Ilmenogorsky alkaline complex, Uralian collision zone of…

2021

Abstract Metamorphic gem corundum (mainly ruby) deposits are robust indicators of continent-continent collision processes. However, a systematic link of primary magmatic blue sapphire occurrences to orogenic belts is less understood. An example is the Ilmenogorsky alkaline complex, within the Ilmen Mountains region and part of the Uralian orogenic belt. The mobile belt is a product of the collision among Kazakhstania, Laurussia, and Siberia continents prior to the closure of the Paleo-Uralian ocean and formation of the Laurasia supercontinent (330–250 Ma). It is believed that the alkaline complex became inсluded into the separate Sysertsk-Ilmenogorsk microcontinent with unconstrained border…

Young ages from old garnet in the polyphase metamorphic terrane of the Limpopo Belt, South Africa

2020

Abstract The P–T–t path of high-grade metamorphic rocks is significant for understanding vertical motions and heating of the crust. In general, garnet is used to constrain P–T paths and metamorphic zircon is used to obtain t for different metamorphic stages. However, this approach may be complicated by polyphase tectonothermal events. The Central Zone of the Limpopo Belt in South Africa is a complex Precambrian metamorphic terrane that has experienced three distinct high-grade metamorphic events at 3.22 Ga (M1), 2.62 Ga (M2), and 2.02 Ga (M3), based on zircon dating. A previous investigation of a metapelite enclave in the Bulai pluton in the Central Zone showed that metamorphic zircon in th…