Results 21 to 30 of about 60,540 (292)
Singlet/Triplet State Anti/Aromaticity of CyclopentadienylCation: Sensitivity to Substituent Effect
Chemistry, 2021 It is well known that singlet state aromaticity is quite insensitive to substituent effects, in the case of monosubstitution. In this work, we use density functional theory (DFT) calculations to examine the sensitivity of triplet state aromaticity to ...
Milovan Stojanović +2 more
doaj +1 more source
Photolysis of ortho-Nitrobenzyl Esters: Kinetics and Substituent Effects [PDF]
ACS OmegaAnthony L. Fink +3 more
doaj +2 more sources
, 2016 The enantioselectivity of prochiral enamide hydrogenation depends on the structure of the enamide, with particular sensitivity to the nature of the α-substituent. Recently, Burk has reported a spectacular example of structure sensitivity for [Rh(DuPHOS)]+
Steven Feldgus (2401402) +1 more
core +3 more sources
, 2023 Substituents modulate reactions, but are commonly described using proxies to their true properties. Substituent descriptors from the Quantum Theory of Atoms in Molecules are related here to these proxies, which have historically had chemically intuitable
Kevin, Lefrancois-Gagnon +1 more
core +1 more source
The substituent effects on the 13c chemical shifts of the azomethine carbon atom of n-(phenyl substituted) salycilaldimines [PDF]
Journal of the Serbian Chemical Society, 2012 The Hammett correlations between 13C-NMR chemical shifts of the azomethine carbon atom and the corresponding substituent constants for thirtheen Schiff bases were established.
Drmanić Saša Ž. +3 more
doaj +1 more source
Molecules, 2022 This work extends our earlier quantum chemical studies on the gas-phase basicity of very strong N-bases to two series of nitriles containing the methylenecyclopropene and cyclopropenimine scaffolds with dissymmetrical substitution by one or two electron ...
Ewa D. Raczyńska +5 more
doaj +1 more source
A study of substituent effects on the NH bond in alkyl and aryl 4,6-disubstituted-3-cyano-2-pyridones [PDF]
Journal of the Serbian Chemical Society, 2007 Substituent effects on the IR stretching frequencies and 1H-NMR chemical shifts of the pyridone NH group in 4- and 6-disubstituted alkyl and aryl 3-cyano- 2-pyridones were investigated.
Mišić-Vuković Milica +4 more
doaj +3 more sources
Substituent effects on non-covalent interactions [PDF]
, 2020 Non-covalent interactions play a vital role in biological and chemical systems, underpinning important processes such as ligand–receptor binding and protein structure.
Burns, Rebecca Jayne
core +1 more source
Superelectrophiles and the Effects of Trifluoromethyl Substituents [PDF]
Journal of the American Chemical Society, 2010 Trifluoromethyl-substituted superelectrophiles were generated in superacid (CF(3)SO(3)H), and their chemistry was examined. The strong electron-withdrawing properties of the trifluoromethyl group are found to enhance the electrophilic character at cationic sites in superelectrophiles.
Matthew J, O'Connor +6 more
openaire +2 more sources
, 2023 The cyclopropylcarbinyl (CPC) and bicyclobutonium (BCB) structures of the C4H7+ cation have been proposed as intermediates in various synthetic transformations forming cyclopropylcarbinyl, cyclobutyl, or homoallyl products.
Pier Alexandre, Champagne, Sean, Larmore
core +1 more source