Rational Design to Activate Tetrafluoromethane by Two-Coordinate Borinium

The activation of tetrafluoromethane (CF4) is quite challenging. The current methods have a high decomposition rate but are expensive, and therefore, their widespread use is limited. Here, inspired by the successful C–F activation within saturated fluorocarbons, we have designed a rational approach based on two-coordinate borinium for activating CF4 using density functional theory (DFT) calculations. Our calculations predict that this approach is both thermodynamically and kinetically favorable

Synthesis and Characterization of Novel Four-Membered Palladacycles

Reaction of zirconophosphacyclobutenes with PdCl2(CH3CN)2 in THF yields the air- and heat-stable four-membered palladacyclic compounds in dimeric structures, which are characterized by X-ray diffraction

Rational Design to Activate Tetrafluoromethane by Two-Coordinate Borinium

The activation of tetrafluoromethane (CF4) is quite challenging. The current methods have a high decomposition rate but are expensive, and therefore, their widespread use is limited. Here, inspired by the successful C–F activation within saturated fluorocarbons, we have designed a rational approach based on two-coordinate borinium for activating CF4 using density functional theory (DFT) calculations. Our calculations predict that this approach is both thermodynamically and kinetically favorable

Synthesis and Characterization of Novel Four-Membered Palladacycles

Reaction of zirconophosphacyclobutenes with PdCl2(CH3CN)2 in THF yields the air- and heat-stable four-membered palladacyclic compounds in dimeric structures, which are characterized by X-ray diffraction

Synthesis and Characterization of Novel Four-Membered Palladacycles

Reaction of zirconophosphacyclobutenes with PdCl2(CH3CN)2 in THF yields the air- and heat-stable four-membered palladacyclic compounds in dimeric structures, which are characterized by X-ray diffraction

Reactivity of Alkynylzirconate toward α,β-Unsaturated Carbonyl Compounds

The reaction of alkynylzirconates with α,β-unsaturated carbonyl compounds has been achieved. Reactions of alkynylzirconates with cinnamates afford ester-functionalized multisubstituted dienes, in which the C3 attacks cinnamates via Michael addition. Reactions of alkynylzirconates with benzylideneacetone give (1E,3Z)-dienes, in which benzylideneacetone acts as an electrophile to afford a proton

Ir-Catalyzed <i>Ortho</i>-Selective C–H Borylation of Difluoromethyl Arenes

The difluoromethyl group (CF2H) has received great attention due to its distinct properties in recent years. Herein, we report a new strategy for postmodification of difluoromethyl compounds. Ortho-selective C–H borylation of difluoromethyl arenes is achieved by a cyclometalated mesoionic carbene–Ir complex. The regioselectivity is controlled by a hydrogen bond between CF2H and the boryl group via the outer-sphere direction

Synthesis and Photophysical Properties of Silole-Fused Cycloparaphenylenes

Herein, we report the introduction of a silole unit into cycloparaphenylenes (CPPs), and two compounds [12]Si3CPP and [16]Si4CPP are obtained by a platinum- and gold-mediated cyclooligomerization strategy. Their optical and electronic properties are studied by UV–vis absorption and fluorescence spectra, which show red shifts and higher photoluminescence quantum yields (PLQYs) compared with the corresponding CPPs

Alkyltriflate-Triggered Annulation of Aryl­isothio­cyanates and Alkynes Leading to Multiply Substituted Quinolines through Domino Electrophilic Activation

The reaction of arylisothiocyanate, alkyltriflate, and alkynes leads to variously substituted quinolines in high yields. The reaction undergoes alkyltriflate-triggered domino electrophilic activation and avoids the use of a transition-metal catalyst. A variety of functional groups are tolerated in the quinoline ring

Surface Decomposition of Doped PrBaMn₂O_5+δ Induced by <i>In Situ</i> Nanoparticle Exsolution: Quantitative Characterization and Catalytic Effect in Methane Dry Reforming Reaction

The exsolution of metallic nanoparticles (NPs) from perovskite oxides is a promising strategy for synthesizing supported catalysts. The associated segregation of A-site cations on the surface is challenging to investigate experimentally and is often detrimental to the catalytic performance. In this work, we found that during the in situ exsolution of Ni-Co bimetallic nanoparticles from Pr0.45Ba0.45Mn1–x(Co1/3 Ni2/3)xO3±δ, A-site cation enrichment occurred on the surface when x is 0.1; yet, the perovskite surface decomposed when x reached 0.2, forming a thin layer comprising various nanocrystalline oxides, which partially blocked the active sites of the exsolved Ni-Co particles. A hydration and carbonation reaction facilitated the conversion of nanocrystalline BaO species into large and highly crystallized BaCO3 particles. This enabled the exposure of more Ni-Co active sites and offered a chance to quantify that the decomposed surface layer accounts for ∼7.2 wt % of the total perovskite. Because of this unique feature, the surface-decomposed catalyst showed higher activity in the dry methane reforming reaction with better stability. Importantly, the regeneration feature was not hampered as the complete exsolution-dissolution recyclability of the catalyst remained