A theoretical study on application of BN/CC isosterism to modify topology of coronene aromaticity and HOMO–LUMO energy gaps-Reference-Cited by-同舟云学术

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A theoretical study on application of BN/CC isosterism to modify topology of coronene aromaticity and HOMO–LUMO energy gaps

Published:2024 Issue:32 Volume:48 Page:14277-14291
ISSN:1144-0546
Container-title:New Journal of Chemistry
language:en
Short-container-title:New J. Chem.

Author:

Baranac-Stojanović Marija¹^ORCID,Stojanović Milovan²,Aleksić Jovana²

Affiliation:

1. University of Belgrade - Faculty of Chemistry, Studentski trg 12-16, P.O. Box 158, 11000 Belgrade, Serbia

2. University of Belgrade - Institute of Chemistry, Technology and Metallurgy - Center for Chemistry, Njegoševa 12, P.O. Box 473, 11000 Belgrade, Serbia

Abstract

A gradual replacement of peripheral CC bonds of coronene with BN ones can isolate aromatic carbocyclic subunits that dominate frontier orbital shapes and energies, thus enabling their modulation.

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/NJ/D4NJ01526F

Reference86 articles.

1. Aromaticity: Quo Vadis

2. A focus on aromaticity: fuzzier than ever before?

3. Does aromaticity account for an enhanced thermodynamic stability? The case of monosubstituted azaborines and the stereoelectronic chameleonism of the NH2 group

4. Why Aromaticity Is a Suspicious Concept? Why?

5. Quantifying aromaticity with electron delocalisation measures

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