Results 21 to 30 of about 1,067,797 (298)

Solvolysis kinetic study and direct spectrofluorimetric analysis of the fungicide benomyl in natural waters

Macedonian Journal of Chemistry and Chemical Engineering, 2014
A direct spectrofluorimetric method for the quantitative analysis of benomyl in natural waters is described. Benomyl is an instable, fluorescent fungicide that mainly decomposes into carbendazim and n-butyl-isocyanate in organic and aqueous solutions ...
Diène Diègane Thiare, Abdourakhmane Khonté, Diegane Sarr, Cheikh Diop, Mame Diabou Gaye-Seye, Atanasse Coly, François Delattre, Alphonse Tine, Jean-Jacques Aaron   +8 more
doaj   +1 more source

Calculation of the stability constants for the complex formation of dioxovanadium (V) with methyliminodiacetic acid in various H2O + CH3OH solutions using kamlet-abboud-taft equation [PDF]

Journal of the Serbian Chemical Society, 2013
The stability constants for the complex formation of VO2+ cation with methyliminodiacetic acid (MIDA) have been determined in this research for various volume fractions of methanol (0-45% v/v) at T = 298 K, I = 0.1 mol dm-3 of sodium perchlorate.
Majlesi Kavosh, Rezaienejad Saghar, Sarabi Doustmand Nazila, Fahmi Mehrdokht, Tahamtan Fereshteh   +4 more
doaj   +1 more source

Gutmann’s Donor and Acceptor Numbers for Ionic Liquids and Deep Eutectic Solvents

Frontiers in Chemistry, 2022
An experimental and computational methodology for the analysis of the Lewis acid/base responses of ionic liquids (ILs) and deep eutectic solvents (DES) is proposed.
Bruno Sanchez, Paola R. Campodónico, Renato Contreras   +2 more
doaj   +1 more source

Catalytic Approaches to Multicomponent Reactions: A Critical Review and Perspectives on the Roles of Catalysis

Molecules, 2021
In this review, we comprehensively describe catalyzed multicomponent reactions (MCRs) and the multiple roles of catalysis combined with key parameters to perform these transformations.
Brenno A. D. Neto, Rafael O. Rocha, Marcelo O. Rodrigues   +2 more
doaj   +1 more source

Effect of cyclic chain architecture on properties of dilute solutions of polyethylene from molecular dynamics simulations [PDF]

, 2003
We have used molecular dynamics methods to investigate the effects of cyclic chain architecture on the properties of dilute solutions. In order to include solvent effects in estimating these properties, we use a van der Waals scaling factor determined ...
Goddard, William A., III, Jang, Seung Soon, Çağin, Tahir   +2 more
core   +1 more source

Solvent Effects on the Spin-Transition in a Series of Fe(II) Dinuclear Triple Helicate Compounds

Crystals, 2018
This work explores the effect of lattice solvent on the observed solid-state spin-transition of a previously reported dinuclear Fe(II) triple helicate series 1–3 of the general form [FeII2L3](BF4)4(CH3CN)n, where L is the Schiff base condensation ...
Alexander R. Craze, Mohan M. Bhadbhade, Cameron J. Kepert, Leonard F. Lindoy, Christopher E. Marjo, Feng Li   +5 more
doaj   +1 more source

Ability of Lewis Acids with Shallow σ-Holes to Engage in Chalcogen Bonds in Different Environments

Molecules, 2021
Molecules of the type XYT = Ch (T = C, Si, Ge; Ch = S, Se; X,Y = H, CH3, Cl, Br, I) contain a σ-hole along the T = Ch bond extension. This hole can engage with the N lone pair of NCH and NCCH3 so as to form a chalcogen bond.
Rafał Wysokiński, Wiktor Zierkiewicz, Mariusz Michalczyk, Steve Scheiner   +3 more
doaj   +1 more source

Solvent Effects in the Regioselective N-Functionalization of Tautomerizable Heterocycles Catalyzed by Methyl Trifluoromethanesulfonate: A Density Functional Theory Study with Implicit Solvent Model

Computation, 2022
Methyl trifluoromethanesulfonate was found to catalyze the reaction of the nucleophilic substitution of the hydroxyl group of alcohols by N-heterocycles followed by X- to N- alkyl group migration (X = O, S) to obtain N-functionalized benzoxazolone ...
Nelson H. Morgon, Srijit Biswas, Surajit Duari, Aguinaldo R. de Souza   +3 more
doaj   +1 more source

Synthesis and Spectroscopic Characterization of Two Tetrasubstituted Cationic Porphyrin Derivatives

Molecules, 2011
An imidazolium tetrasubstituted cationic porphyrin derivative (the free base and its Zn(II) complex) with five-membered heterocyclic groups in the meso-positions were synthesized using microwave irradiation, and the compounds obtained characterized by 1H-
Newton M. Barbosa Neto, José A.S. Cavaleiro, Antonio E.H. Machado, Rodrigo De Paula, Diesley M.S. Araújo, Hércules S. Miglio, Leonardo T. Ueno, Weverson R. Gomes   +7 more
doaj   +1 more source

Solvent-Mediated Rate Deceleration of Diels–Alder Reactions for Enhanced Selectivity: Quantum Mechanical Insights

Chemistry
Solvents can have a tremendous influence on the rate and selectivity of chemical reactions, but their effects are not always well accounted for. In the present work, density functional theory computations are used to investigate the influence of solvent ...
Umatur Rehman, Asim Mansha, Felix Plasser   +2 more
doaj   +1 more source