Issue 28, 2016

On splitting of the NICS(1) magnetic aromaticity index

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

Supplementary files

Article information

Article type
Communication
Submitted
03 Feb 2016
Accepted
22 Feb 2016
First published
24 Feb 2016

RSC Adv., 2016,6, 23900-23904

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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