Browsing by Author "Campodónico, Paola R."
Now showing items 1-14 of 14
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(American Chemical Society, 2003)In this paper we describe a method to obtain estimates of the relative nucleophilicity for a series of neutral and charged electron donors from their solution phase ionization potential (Is). The relationship between ...
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(Amer Chemical Soc, 2011-02-18)It is proposed that the electrofugality of a fragment within a molecule is determined by its group nucleophilicity. The variation of electrofugality should be tightly related to the electron releasing ability of the ...
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(Royal Soc Chemistry, 2015)We herein report an experimental and theoretical study on preferential solvation effects for the reactions of 1-fluoro and 1-chloro-2,4-dinitrobenzene towards morpholine in acetonitrile, water and mixtures of them of varying ...
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(ELSEVIER, 2006-04-28)Two classical tools, the intermolecular stretching force constants of H-bonded complexes and the molecular electrostatic potential are used to propose a nucleophilicity index evaluated for a series of pyridines. The model ...
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(PERGAMON-ELSEVIER SCIENCE LTD, 2006-03-13)The reactions of quinuclidines with phenyl, 4-methylphenyl, and 4-chlorophenyl 2,4-dinitrophenyl carbonates are kinetically evaluated in aqueous solution. The Bronsted-type plots (log k(N) vs pK(a) of quinuclidinium ions) ...
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(ELSEVIER, 2006-05-10)We propose and test an empirical nucleofugality index to rank the leaving group ability of a series of molecular fragments present in nucleophilic substitution reactions of carbonyl and thiocarbonyl derivatives. The ...
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(Frontiers Media, 2022)Few kinetic parameters, or reaction rates, are known up to date in detail about 1-chloro and 1-fluoro-2,4-dinitrobenzene (ClDNB and FDNB, respectively) with a series of biothiols in aqueous media. These biological nucleophiles ...
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(2007)We propose that a specific property of a chemical fragment, its regional electrophilicity, be taken as defining its nucleofugality index nu(PG) in alpha-elimination reactions. We tabulate this quantity for a series of ...
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(Elsevier, 2010)We herein report on the group electrophilicity of molecular fragments present in the title compounds to describe leaving group abilities in reactions of aryl benzoates toward CN . It is found that the presence ...
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(2012)In nucleophilic substitution reactions at carbonyl centres, there are two possible channels. The first one occurs when the attack of nucleophilic agents takes place simultaneously with the departure of the nucleofuge. This ...
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(Elsevier, 2008-10-23)Experimental observations show that for the gas phase isomerization of protonated molecules, a third body can transport a proton from a high-energy site to a lower energy-site of the substrate, thereby catalyzing the ...
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(Elsevier, 2010)We herein report an experimental and theoretical study on the acetylation reaction of benzohydrazide derivatives towards p-nitrophenyl acetate (NPA). The kinetic data are consistent with a stepwise mechanism with the ...
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(John Wiley and Sons Ltd, 2004)Theoretical electrophilicity and nucleophilicity scales, defined in terms of electronic reactivity indices, were tested for the reaction of a series of carbonates with neutral and charged reagents of varying nucleophilicity. ...
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(Pergamon-Elsevier, 2008-03-15)The global electrophilicity index that incorporates electrostatic and polarizability contributions shows a quantitative correlation with antiviral and cytotoxic activities of electrophilic sugars. The model is applied to ...
