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Mutual relationships between magnetic aromaticity indices of heterocyclic compounds
Author(s) -
SadlejSosnowska Nina
Publication year - 2004
Publication title -
journal of physical organic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.325
H-Index - 66
eISSN - 1099-1395
pISSN - 0894-3230
DOI - 10.1002/poc.728
Subject(s) - aromaticity , chemistry , tetrazole , computational chemistry , stereochemistry , organic chemistry , molecule
For three sets of aromatic compounds, namely various five‐membered heterocycles, derivatives of 2 H ‐tetrazole and six‐membered heterocycles, a number of the aromaticity indices, especially magnetic ones, were calculated. The tables of correlation coefficients between the individual indices revealed that mutual relationships between them depend on their composition in the set and that some magnetic characteristics themselves may be orthogonal to others. Copyright © 2004 John Wiley & Sons, Ltd.