Effect of deprotonation on the magnetic exchange coupling constant of fluorene-based verdazyl diradical: A computational study

Suranjan Shil

doi:10.1002/qua.25543

Effect of deprotonation on the magnetic exchange coupling constant of fluorene-based verdazyl diradical: A computational study

Suranjan Shil^*

^*Corresponding author for this work

Manipal Centre for Natural Sciences, Manipal

Research output: Contribution to journal › Article › peer-review

5 Citations (Scopus)

Abstract

The magnetic behavior of the fluorene bridged verdazyl diradicals has been studied theoretically in their neutral and deprotonated states. The deprotonation of C9-H site of the fluorene ring opens a new coupling pathway, which changes the nature of magnetic coupling. The transmission spectra analysis reveals that the transmission through fluorine has also increased due to the opening of a new coupling path after deprotonation.

Original language	English
Article number	e25543
Journal	International Journal of Quantum Chemistry
Volume	118
Issue number	11
DOIs	https://doi.org/10.1002/qua.25543
Publication status	Published - 05-06-2018

All Science Journal Classification (ASJC) codes

Atomic and Molecular Physics, and Optics
Condensed Matter Physics
Physical and Theoretical Chemistry

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10.1002/qua.25543

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abstract = "The magnetic behavior of the fluorene bridged verdazyl diradicals has been studied theoretically in their neutral and deprotonated states. The deprotonation of C9-H site of the fluorene ring opens a new coupling pathway, which changes the nature of magnetic coupling. The transmission spectra analysis reveals that the transmission through fluorine has also increased due to the opening of a new coupling path after deprotonation.",

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Effect of deprotonation on the magnetic exchange coupling constant of fluorene-based verdazyl diradical: A computational study

Abstract

All Science Journal Classification (ASJC) codes

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