Results 21 to 30 of about 67,257 (300)
Substituent effect of Cp2TiCl2 catalyst for ethylene polymerization: A DFT study [PDF]
Polyolefins Journal, 2023 The substituents on cyclopentadienyl (Cp) can regulate the electronic effect and hindrance of the active center in the metallocene catalyst. This modification can greatly change the catalytic activity of the catalyst and affect some features of the ...
Kefeng Xie +5 more
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, 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
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Orbital: The Electronic Journal of Chemistry, 2020 The present work reports kinetic study of the reaction of benzofuroxan and its derivatives with 2-acetylthiophene. Hammett equation was used to determine the rate of the reaction and substituent effect. Specifically, chloro, nitro and methyl substituted
Intisar Salih Ahmed, Damra Elhaj Mustafa
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Substituted 2-Phenacylbenzoxazole Difluoroboranes: Synthesis, Structure and Properties
Molecules, 2020 Novel fluorescent dyes such as benzoxazole-boron complexes, bearing β-ketoiminate ligands, have been synthesized and characterized with a focus on the influence of a substituent on the basic photophysical properties.
Agnieszka Skotnicka, Przemysław Czeleń
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Computational analysis of substituent effect on emission wavelengths and chemical reaction rates [PDF]
, 2021 Substituent groups are widely used to take advantage of their electronic and steric proper- ties. For example, substituents with an electron-donating or electron-withdrawing nature have been utilized to design new materials with effective photophysical ...
Satalkar, Vardhan
core
Substituent and Solvent Effect Studies of N-Alkenylnitrone 4π-Electrocyclizations
, 2022 The roles of substituent and solvent effects in promoting the 4π-electrocyclization of N-alkenylnitrones to give azetidine nitrones have been investigated by experimental examination of relative rates, activation energies, and linear free energy ...
Laura, Alonso +5 more
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, 2022 Dipyrrolonaphthyridinedion (DPND) thin films exhibit interesting photo-physical properties and singlet fission (SF) processes. A recent experimental work found that the alkyl substitution in DPND skeleton has the remarkable influence on the ...
Yi, Zhao, WanZhen, Liang, ShiShi, Feng
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Effects of substituents on the electronic absorption spectra of 3-N-(4-substituted phenyl)-5-carboxy uracils in different solvents. Part II. [PDF]
Journal of the Serbian Chemical Society, 2000 Absorption spectra of some 3-N-(4-substituted phenyl)-5-carboxy uracils, previously determined in twelve solvents, are correlated with substituent sp+ values or by dual substituent parameter correlations involving sl and sR+ values.
M. RADOJKOVIC-VELICKOVIC +2 more
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, 2016 The epimerization reactions of conformationally inflexible 2-aryl-1,3-N,N-heterocycles were used as model systems to study the role of the nitrogen lone pair-C2 associated antibonding orbital hyperconjugative interactions in the experimentally observed ...
László Lázár (2716390) +4 more
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The substituent effect on benzene dications
Phys. Chem. Chem. Phys., 2014 It was shown that the substituent effect in the dicationic benzene ring, which is a 4nπ-electron system, can be numerically quantified and then further interpreted.
Palusiak, Marcin +3 more
openaire +5 more sources