Aromaticity of the planar hetero[8]circulenes and their doubly charged ions: NICS and GIMIC characterization
Author:
Affiliation:
1. Bohdan Khmelnytsky National University
2. Cherkassy, Ukraine
3. Tomsk State University
4. Tomsk, Russian Federation
5. National Research Tomsk Polytechnic University
Abstract
All hetero[8]circulenes represent nonaromatic species because the paratropic internal currents (red colour) substantially cancel out the diatropic contribution on the outside edge (blue colour).
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2014/CP/C4CP00860J
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