The computational analysis and modelling of substitution effects on hydrolysis of formanilides in acidic aqueous solutions

A quantum dot intercalated robust covalent organic framework membrane for ultrafast proton conduction

“…The positive charge of the PGQD is mainly because of the protonated nitrogen atom in the amide group, 40 which is enhanced due to the increased electron density of the nitrogen atom by the alkyl chain of alendronate sodium, in accordance with previously reported work. 47 The negative and positive charges generate strong electrostatic interactions between the SCOF nanosheets and PGQD. Moreover, an obvious occulation occurs quickly when the SCOF and PGQD solutions are directly mixed together (Fig.…”

Substitution effect of phenol derivatives on electrochemical oxidation potentials: Correlation of theoretical reaction Gibbs free energies

“…For para substituents, in addition to σ p , there are also the Brown-Okamoto constants (σ p+ and σ p-) (Brown and Okamoto, 1957), the use of which depends on the reaction centre of the molecule. Therefore, Hammett constants have long been used for different types of dependences where it is necessary to find a relationship between different types of substituents and a given quantity (e.g., BDE, ionisation potentials, pK a ) (Bordwell et al, 1994;Klein et al, 2009;Lukeš et al, 2017). The ortho Hammett constants proposed by Takahata are not available for all substituents (Takahata and Chong, 2005).…”