October 2019 - 12 articles
The heterometallic chromium-manganese carbonyl nitrosyls CrMn(NO)(CO)n (n = 9, 8) have been investigated by density functional theory. The lowest energy CrMn(NO)(CO)9 structures have unbridged staggered conformations with a ~2.99 Å Cr–Mn...
A common molecular design paradigm for optical power limiting (OPL) applications is to introduce heavy atoms that promote intersystem crossing and triplet excited states. In order to investigate this effect, three multi-branched fluorene molecules we...
Synthesis and reactivities of a new mononuclear hydroxidoiridium(III) complex with a pentamethylcyclopentadienyl (Cp*) ligand are reported. The hydroxido ligand was introduced into an iridium complex having a nonprotic amine chelate derived from N-me...
Thermally activated delayed fluorescence (TADF) and TADF-organic light-emitting diodes (OLEDs) systems are being given increasing attention in research nowadays. Much more work has been done for organic-based materials in this field, but the use of T...
Clean production of renewable fuels is a great challenge of our scientific community. Iridium complexes have demonstrated a superior catalytic activity in the water oxidation (WO) reaction, which is a crucial step in water splitting process. Herein,...
Divalent metal oxidoarsenates(V) with compositions M(H2AsO4)2(H3AsO4)2 (M = Mg, Mn, Co, Ni), M(HAsO4)(H3AsO4)(H2O)0.5 (M = Mn, Cd) and Zn(HAsO4)(H3AsO4) were obtained from solutions containing an excess of arsenic acid. Single crystal X-ray diffracti...
The reaction of [(Cp*Ir)2(μ-dmpm)(μ-H)][OTf] (2) [Cp* = η5-C5Me5, dmpm = bis(dimethylphosphino)methane] with 2,3-dihydrofuran gives [(Cp*IrH)2(μ-dmpm){μ-(2,3-dihydrofuranyl)}][OTf] (3) in an isolated yield of 70% via the C–H bon...
Surface-modified ZnAl layered double hydroxides (LDHs) were prepared by reaction of AgNO3, with both ZnAlCl (LDH1) and ZnAlCO3 exchanged on the surface with chloride anions (LDH3). In this way, AgCl nanoparticles with crystalline domains ranging from...
Two new aromatic pyrimidine-based derivatives designed specifically for halogen bond directed self-assembly are investigated through a combination of high-resolution Raman spectroscopy, X-ray crystallography, and computational quantum chemistry. The...
The reduction of the sintering temperature of doped ceria ceramics remains an open challenge for their real exploitation as electrolytes for intermediate temperature solid oxide fuel cell (IT-SOFCs) at the industrial level. In this work, we have used...
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