Results 11 to 20 of about 486,719 (268)
Molecules, 2022 Contemporary design of new organic non-linear optical (NLO) materials relies to a large extent on the understanding of molecular and electronic structure–property relationships revealed during the years by available computational approaches. The progress
Tomáš Hrivnák +3 more
doaj +1 more source
Solvent Effects on the Menshutkin Reaction
The Journal of Physical Chemistry B, 2022 The Menshutkin reaction is a methyl transfer reaction relevant in fields ranging from biochemistry to chemical synthesis. In the present work, energetics and solvent distributions for NH$_{3}$+MeCl and Pyr+MeBr reactions were investigated in the gas-phase, in water, methanol, acetonitrile, benzene, and in cyclohexane by means of reactive molecular ...
Haydar Taylan Turan +2 more
openaire +4 more sources
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 +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 +2 more
doaj +1 more source
Solvent effects on the photooxidation of indolepyrazines
Photochemical & Photobiological Sciences, 2022 AbstractPhotodestruction of 2-(pyrazin-2′-yl)-1H-indole and 2,5-di(1H-indol-2′-yl)pyrazine involves singlet oxygen generation and its rapid insertion into the indole ring with the formation of benzoxazinone derivatives: 2-(pyrazin-2-yl)-4H-3,1-benzoxazin-4-one and 2-[5-(1H-indol-2-yl)pyrazin-2-yl]-4H-3,1-benzoxazin-4-one.
Barbara Golec +4 more
openaire +2 more sources
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 +8 more
doaj +1 more source
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 +2 more
doaj +1 more source
Solvent Effects in Molecular Recognition. [PDF]
Acta Chemica Scandinavica, 1990 Abstract
D. B. Smithrud +7 more
openaire +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 +3 more
doaj +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 +5 more
doaj +1 more source