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Theoretical Substituent Electrophilicities
(SOC BRASILEIRA QUIMICA, 2011)
A Hammett-like equation, relating theoretical global and substituent electrophilicities, is derived for substituted ethylenes and benzoic acids, allowing the calculation of electrophilic substituent constants a.. Correlations ...
Accurate calculation of N1s and C1s core electron binding energies of substituted pyridines. Correlation with basicity and with Hammett substituent constants
(Elsevier Science BvAmsterdamHolanda, 2008)
Epoxidation of styrene with iodosylbenzene in the presence of copper(II) Schiff-base complexes
(Elsevier Ltd, 2003)
Copper(II) complexes with salen Schiff-base ligands derived from ethylenediamine or (S,S)-1,2-diphenylethylenediamine and salicylaldehyde or 5-methoxy, 5-bromo and 5-nitrosalicylaldehyde have been tested as catalysts for ...
Polymerization Rate Modulated by Tetraarylborate Anion Structure: Direct Correlation of Hammett Substituent Constant with Polymerization Kinetics of 2-Hydroxyethyl Methacrylate
(2018-10-23)
A series of para-substituted tetraarylborates were investigated as aryl radical generator for photopolymerization reactions, using 2-hydroxyethyl methacrylate as monomer. The first steps of the photopolymerization process ...
Geometry, solvent, and polar effects on the relationship between calculated core-electron binding energy shifts (Delta CEBE) and Hammett substituent (sigma) constants
(Elsevier Science BvAmsterdamHolanda, 2006)
Relationship between the electrophilicity and σp Hammett constant in Baeyer–Villiger reactions
(Elsevier B.V, 2008-07-20)
The Baeyer–Villiger oxidation of some aldehydes and ketones has been revised by using the electrophilicity
as a descriptor of reactivity. The global electrophilicity index evaluated at the ground state of a series
of ...
Quantitative studies on the: P -substituent effect of the phenolic component on the polymerization of benzoxazines
(Royal Society of Chemistry, 2018-08)
The pure monofunctional benzoxazines substituted by either electron donating or withdrawing groups are synthesized to verify the electronic effect on the polymerization behaviors without any complicated factors of the ...
The effects of substituents and solvents on the conformation of benzophenones
(BioChem Press, 2004-06)
Motivation. Natural and synthetic benzophenones are compounds of great scientific and applied interest due to the varied biological and physicochemical properties that they posses. As part of a program aimed at investigating ...