Substituent effects of nitro group in cyclic compounds

A Jezuita, K Ejsmont, H Szatylowicz - Structural Chemistry, 2021 - Springer
Numerous studies on nitro group properties are associated with its high electron-
withdrawing ability, by means of both resonance and inductive effect. The substituent effect …

First theoretical probe for efficient enhancement of optical nonlinearity via structural modifications into phenylene based D–π–A configured molecules

M Khalid, S Naz, K Mahmood, S Hussain, AAC Braga… - RSC …, 2022 - pubs.rsc.org
The design of nonlinear optical (NLO) materials using conjugated molecules via different
techniques is reported in the literature to boost the use of these systems in NLO. Therefore …

On the relations between aromaticity and substituent effect

H Szatylowicz, A Jezuita, TM Krygowski - Structural Chemistry, 2019 - Springer
Aromaticity/aromatic and substituent/substituent effects belong to the most commonly used
terms in organic chemistry and related fields. The quantitative description of aromaticity is …

Synthesis, Characterization, and Evaluation of Tetrazole Derivatives with Pyrrole‐2, 5‐Dione Moieties as Urease Inhibitors: Exploring Structure‐Activity Relationships …

D Muhammed Aziz, S Ali Hassan - ChemistrySelect, 2024 - Wiley Online Library
A series of Tetrazole derivatives containing pyrrole‐2, 5‐dione groups (5 a–e) were
synthesized and comprehensively characterized using HRMS, FT‐IR, and 1H−, 13C‐NMR …

Unusual Ligand Assistance in Molecular Electrocatalysis via Interfacial Proton Charge Assembly

S Mukhopadhyay, AR Kottaichamy… - The Journal of …, 2023 - ACS Publications
We show that the ability of the ligand to reorganize the electric double layer (EDL) often
dominates the electrocatalysis contrary to their inductive effect in the spectrochemical series …

Towards physical interpretation of substituent effects: The case of meta-and para-substituted anilines

H Szatylowicz, T Siodla, OA Stasyuk… - Physical Chemistry …, 2016 - pubs.rsc.org
Quantum chemical modeling was used to investigate the electron-donating properties of the
amino group in a series of meta-and para-X-substituted anilines (X= NMe2, NH2, OH, OMe …

Toward the physical interpretation of inductive and resonance substituent effects and reexamination based on quantum chemical modeling

H Szatylowicz, A Jezuita, T Siodła, KS Varaksin… - ACS …, 2017 - ACS Publications
An application of a charge of the substituent active region concept to 1-Y, 4-X-disubstituted
derivatives of bicyclo [2.2. 2] octane (BCO)[where Y= NO2, COOH, OH, and NH2 and X …

Effect of the solvent and substituent on tautomeric preferences of amine-adenine tautomers

A Jezuita, PA Wieczorkiewicz, H Szatylowicz… - ACS …, 2021 - ACS Publications
Adenine is one of the basic molecules of life; it is also an important building block in the
synthesis of new pharmaceuticals, electrochemical (bio) sensors, or self-assembling …

Towards a physical interpretation of substituent effect: Quantum chemical interpretation of Hammett substituent constants

KS Varaksin, H Szatylowicz, TM Krygowski - Journal of Molecular Structure, 2017 - Elsevier
Quantitative description of substituent effects is of a great importance especially in organic
chemistry and QSAR-type treatments. The proposed approaches: substituent effect …

Study of the influence of intermolecular interaction on classical and reverse substituent effects in para-substituted phenylboranes

M Jabłoński, TM Krygowski - New Journal of Chemistry, 2020 - pubs.rsc.org
Using two families of XC6H4BH2⋯ SiH4 and XC6H4BH2⋯ SiMeH3 dimers where X
represents 18 different substituents featuring a wide range of electronic properties, from …