Issue 28, 2016
From the journal:

RSC Advances

On splitting of the NICS(1) magnetic aromaticity index†

Jan Cz. Dobrowolski*ab  and  Piotr F. J. Lipińskic  

* Corresponding authors

a Institute of Chemistry and Nuclear Technology, 16 Dorodna Street, 03-195 Warsaw, Poland

b National Medicines Institute, 30/34 Chełmska Street, 00-725 Warsaw, Poland
E-mail: j.dobrowolski@nil.gov.pl

c Department of Neuropeptides, Mossakowski Medical Research Centre Polish Academy of Sciences, 02-106 Warszawa, Poland

Abstract

The NICS(1) magnetic aromaticity index is split into NICS(1) and NICS(−1) indices when the points 1 Å above and below the ring center are inequivalent by symmetry. The two indices characterize the aromaticity of the two ring faces rather than the ring itself. We propose new NICS(1) co-indices to complete aromaticity analysis.

Graphical abstract: On splitting of the NICS(1) magnetic aromaticity index

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Article information

DOI
https://doi.org/10.1039/C6RA03246J
Article type
Communication
Submitted
03 Feb 2016
Accepted
22 Feb 2016
First published
24 Feb 2016

RSC Adv., 2016,6, 23900-23904

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On splitting of the NICS(1) magnetic aromaticity index

J. Cz. Dobrowolski and P. F. J. Lipiński, RSC Adv., 2016, 6, 23900 DOI: 10.1039/C6RA03246J

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