Insights into fluorine substituent effect on the electronic, optical and spectroscopic properties of borazanaphthalene

In this work, fluorine substituent effect on the optical and spectroscopic properties of borazanaphthalene was investigated at M062X/6-311G(d,p) level of theory. Energetic stability of possible isomers with formation of NF and BF bonds were compared. Interacting quantum atoms (IQA) and aromatic fluc...

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Bibliographic Details

Published in:	Results in Chemistry
Main Authors:	Maryam Hajipour, Reza Ghiasi, Sahar Baniyaghoob
Format:	Article
Language:	English
Published:	Elsevier 2025-05-01
Subjects:	Borazanaphthalene Substituent effect Interacting quantum atoms (IQA) Aromatic fluctuation index (FLU)
Online Access:	http://www.sciencedirect.com/science/article/pii/S2211715625003091