Naphthalene vs. Benzene as a Transmitting Moiety: Towards the More Sensitive Trifluoromethylated Molecular Probes for the Substituent Effects

Naphthalene vs. Benzene as a Transmitting Moiety: Towards the More Sensitive Trifluoromethylated Molecular Probes for the Substituent Effects

The application of DFT computational method (B3LYP/6-311++G(d,p)) to mono- and poly(CF<sub>3</sub>)substituted naphthalene derivatives helps to study changes in the electronic properties of these compounds under the influence of 11 substituents (-Br, -CF<sub>3</sub>, -CH<s...

Full description

Bibliographic Details
Main Authors: Adam Sokół, Henryk Koroniak, Marcin Hoffmann, Tomasz Siodła
Format: Article
Language:English
Published: MDPI AG 2022-06-01
Series:Molecules
Subjects:
naphthalene
substituent effect
density functional theory (DFT)
substituent effect stabilization energy (SESE)
trifluoromethyl group
Online Access:https://www.mdpi.com/1420-3049/27/13/4173

Internet

https://www.mdpi.com/1420-3049/27/13/4173

Similar Items