Computational study of anomalous reduction potentials for hydrogen evolution catalyzed by cobalt dithiolene complexes

BH Solis, S Hammes-Schiffer - Journal of the American Chemical …, 2012 - ACS Publications
The design of efficient hydrogen-evolving catalysts based on earth-abundant materials is
important for developing alternative renewable energy sources. A series of four hydrogen …

Oxo-vanadium (IV) phthalocyanine implanted onto the modified SBA-15 as a catalyst for direct hydroxylation of benzene to phenol in acetonitrile-water medium: A …

S Farahmand, M Ghiaci, S Asghari - Chemical Engineering Science, 2021 - Elsevier
Direct hydroxylation of benzene using molecular oxygen is an engaged approach to yield of
phenol as a valuable compound with numerous applications. In the present research, highly …

Demystifying solvent effects on Diels–Alder reactions in pure and mixed solvents: a combined electronic DFT and QM/MM study

H Zhang, W Tang, P Xie, S Zhao - Industrial & Engineering …, 2023 - ACS Publications
Although solvent effects on chemical reactions in pure solvents are well elucidated, both
reaction mechanisms and solvent effects in mixed solvents remain poorly understood …

[HTML][HTML] First-principles modeling of chemistry in mixed solvents: Where to go from here?

AM Maldonado, Y Basdogan, JT Berryman… - The Journal of …, 2020 - pubs.aip.org
Mixed solvents (ie, binary or higher order mixtures of ionic or nonionic liquids) play crucial
roles in chemical syntheses, separations, and electrochemical devices because they can be …

Solvatochromism in Mixtures of Hydrogen Bond Acceptor (HBA) Solvents with Water

S Spange, A Seifert - ChemPhysChem, 2024 - Wiley Online Library
The UV/Vis absorption energies νmax of Reichardt's dye B30 with respect to ET (30) and 4‐
nitroaniline (NA) are investigated as a function of the solvent composition Nav, z. in co …

Kinetics of the Reaction of 2-Chloro-quinoxaline with Hydroxide Ion in ACN–H2O and DMSO–H2O Binary Solvent Mixtures

MF Fathalla - Journal of solution chemistry, 2011 - Springer
The kinetics of alkaline hydrolysis of 2-chloroquinoxaline (QCl) with hydroxide ion was
investigated spectrophotometrically at different percentages of aqueous–organic solvent …

Specific influence of salts on the hydrolysis reaction rate of p-nitrophenyl anthranilate in binary acetonitrile–water solvents

LD Bayissa, Y Ohmae, M Hojo - Journal of Molecular Liquids, 2014 - Elsevier
The hydrolysis reaction rates of p-nitrophenyl anthranilate (p-NPA) have been surveyed in
aqueous buffer solutions mixed with acetonitrile (MeCN) containing various salts at 50±0.1° …

[PDF][PDF] Nucleophilic substitution reactions of 2, 4-Dinitrobenzene derivatives with hydrazine: Leaving group and solvent effects

MF Ibrahim, HA Abdel-Reheem, SN Khattab… - International Journal of …, 2013 - academia.edu
Abstract The hydrazinolysis of 2, 4-dinitrophenyl acetate in methanol proceed exclusively
through acyl-oxygen scission by a concerted mechanism. The reaction of 1-chloro-2, 4 …

[PDF][PDF] Aminolysis of isatin and N-acetyl isatin in acetonitrile and mixed acetonitrile-water solvents

MF Ibrahim, AAA Al-Karewi, SN Khattab… - Asian Journal of …, 2014 - academia.edu
The reactions of N-acetyl isatin and N-propionyl isatin with morpholine, piperazine and
diethylamine in acetonitrile underwent nucleophilic substitution reactions at the amide …

Synthesis and Aminolysis of 2,4-Dinitrophenyl and 5-Nitropyridine N-Hydroxy Oxime Derivatives

SN Khattab, EA Hamed, F Albericio… - Bulletin of the …, 2011 - academic.oup.com
Abstract The 2, 4-dinitrophenoxy derivatives 12–16 and the 5-nitro-2-pyridyloxy derivatives
18–22 were prepared. The products were identified by elemental analysis, IR, and NMR …