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Insights into the excited state hydrogen bond and proton transfer behaviors associated with solvent polarity for NHBQ fluorophore: a theoretical study
Inspired by the excellent photochemical properties of hydroxybenzo[h]quinoline and its derivatives, in this work, the novel electron withdrawing...
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Synergistic silver-mediated and palladium-catalyzed nondirected olefination of aryl C–H bond: quick access to multi-substituted aryl olefins
Transition metal-catalyzed olefination of aryl C–H bond is a powerful tool for the synthesis of alkenes. While the Pd-catalyzed oxidative C–H...
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Microwave-assisted C–C bond formation of diarylacetylenes and aromatic hydrocarbons on carbon beads under continuous-flow conditions
The synthesis of polycyclic aromatic compounds generally requires stoichiometric oxidants or homogeneous metal catalysts, however, the risk of...
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Recent advances in visible light-induced C(sp3)–N bond formation
Synthetic chemists have long focused on selective C( sp 3 )–N bond-forming approaches in response to the high value of this motif in natural products,...
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Chemical bonding and electronic properties along Group 13 metal oxides
ContextThe present work provides a systematic theoretical analysis of the nature of the chemical bond in Al 2 O 3 , Ga 2 O 3 , and In 2 O 3 group 13 cubic...
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Synthesis of a siloxane oligomer containing ether bond for promoting the adhesion between addition-cure silicone rubber and polycarbonate (PC)
An adhesion promoter named AP 1 containing ether bond was synthesized with phenyl tris (dimethylsiloxane) silane and bisphenol A diallyl ether as raw...
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Learning symmetry-aware atom map** in chemical reactions through deep graph matching
Accurate atom map**, which establishes correspondences between atoms in reactants and products, is a crucial step in analyzing chemical reactions....
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Selective synthesis of the B11H14− and B12H122− borane derivatives and the general mechanisms of the B-H bond condensation
Polyhedral boranes are a class of well-known boron molecular clusters with unique physical and chemical properties, and great efforts have been made...
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Tailoring of Polymer Surfaces with Monotype Functional Groups of Variable Density Using Chemical and Plasma Chemical Processes
Polymer surfaces were modified in low-pressure glow discharge plasmas for introduction of monotype functional groups of different type and...
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Introduction to Instrumental Methods of Chemical Analysis
Chemical analysis has been defined in different ways by different investigators. However, it is reasonable to state that chemical analysis involves...
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Regiocontrolled cleavage of the isocembrol cycle at the Δ2 bond and its transformation into 15-membered macrolide
Isocembrol C(3)-ketoxime was synthesized regioselectively and the C—C bond was cleaved under the standard Beckmann fragmentation conditions....
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Hydrogen-bond assisted nonconventional photoluminescence of crystalline and amorphous cellulose
Cellulose is hierarchically arranged to form a sophisticated supramolecular structure. The structural complexity leads to a dilemma where the...
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Dependence of the air-drying exothermic effect on the double bond in alkyd resins
The widely used alkyd resin suffers not only the flammability but also the autoignition of resin waste. Its autoignition should result from the...
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Unraveling redox pathways of the disulfide bond in dimethyl disulfide: Ab initio modeling
ContextIn cellular environments, the reduction of disulfide bonds is pivotal for protein folding and synthesis. However, the intricate enzymatic...
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A DFT theoretical investigation on the interplay effects between cation-π and intramolecular hydrogen bond interactions in the mesalazine⋯Fe2+ binary complex
A detailed study on mesalazine⋯Fe 2+ complex is performed using density functional theory calculations to show the interplay effects of cation–π and...
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Reversible C–C bond formation using palladium catalysis
A widely appreciated principle is that all reactions are fundamentally reversible. Observing reversible transition metal-catalysed reactions,...
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How the concept of chemical affinity evolved and how it contributed to chemical science
This historiographic paper traces the evolution of the concept of chemical affinity from its antique origins until the end of the twentieth century....
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Sterically crowded thioamides: deviations from planarity as determined by X-ray structure analyses and quantum chemical calculations
The structures of selected thiobenzamides and some corresponding benzamides with two more or less bulky N-substituents have been studied by...
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Thermodynamic parameters of complexation of sterically hindered phenols with hydrogen bond acceptor solvents: determination by 1H NMR spectroscopy
The temperature and concentration dependences of the chemical shift of the phenolic hydroxyl proton in 2,6-diisobornyl-4-methylphenol ( 1 ) and 2,6-di- tert...
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An azo coupling of berberine derivatives: an experimental and quantum-chemical study
The possibility of synthesizing 12-(aryldiazo)berberrubines was demonstrated experimentally and by quantum-chemical calculations based on the Density...
