Joanna E. Zachara-Horeglad

TL;DR: In this paper, the Bader AIM theory was used to characterize transmitting properties for substituent effect through the naphthalene moiety, and the studied systems could be clearly divided into two groups, (i) a para-type group, where the intramolecular charge transfer between the π-electron donating and πelectron accepting substituents can be described by canonical forms with charge separation (as in the case of para-nitrophenolate) and (ii) a meta-type groups, where this transfer requires using canonical forms

TL;DR: Observations indicate that pi-electron effects play a fundamental role in the stabilization of the hydrogen bridge within omicron-hydroxy Schiff bases.

TL;DR: It is shown that the relation between intramolecular noncovalent interactions, A-H...B and A-Li...B, and the pi-electron delocalization in the sequence of pi-conjugated covalent bonds linking A and B can be considered in terms of the Hammett-like substituent effect in which electron-donating and electron-withdrawing properties of substituents are affected by the nonCovalent interaction.

TL;DR: In this article, a quantitative description of resonance-assisted H-bond in terms of σ-scale of substituent effect for proton-donating and proton accepting groups is presented.

TL;DR: The strongest changes in aromaticity estimated by HOMA and NICSs were found for aniline derivatives with NH2...B and anilide derivatives without and with NH-...HB interactions, and the changes observed for two other kinds of interactions are much smaller.