The Magnetic Properties of Fluorenyl and <i>tert</i>-Butyl-nitroxyl Acene-Based Derivatives: A Quantum Chemical Insight

The Magnetic Properties of Fluorenyl and <i>tert</i>-Butyl-nitroxyl Acene-Based Derivatives: A Quantum Chemical Insight

Acenes, as a class of polycyclic aromatic hydrocarbons, attract considerable attention due to their remarkable nonlinear optical and magnetic properties. The aim of this work was the elucidation of the capability of radical-substituted acene derivatives to undergo spin-state-switching rearrangements...

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Bibliographic Details
Main Authors: Alyona A. Starikova, Maxim G. Chegerev, Andrey G. Starikov, Vladimir I. Minkin
Format: Article
Language:English
Published: MDPI AG 2024-08-01
Series:Chemistry
Subjects:
DFT calculations
acenes
radicals
magnetic properties
spin-state-switching
isomerization
Online Access:https://www.mdpi.com/2624-8549/6/5/49
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