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...

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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

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