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Back Cover: Triplet State Aromaticity: NICS Criterion, Hyperconjugation, and Charge Effects (Chem. Asian J. 2/2016)
Author(s) -
Sun Hongchao,
An Ke,
Zhu Jun
Publication year - 2016
Publication title -
chemistry – an asian journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.18
H-Index - 106
eISSN - 1861-471X
pISSN - 1861-4728
DOI - 10.1002/asia.201501370
Subject(s) - antiaromaticity , aromaticity , delocalized electron , chemistry , computational chemistry , hyperconjugation , charge (physics) , physics , molecule , quantum mechanics , organic chemistry
Theoretical calculations reveal that five‐membered cyclic species with “hyperconjugative” aromaticity (and antiaromaticity) in the S 0 state will become antiaromatic (and aromatic) in the T 1 state (aromaticity is denoted by a delocalized large semicircle in the picture), in line with Baird's rule. In addition, NICS criterion and charge effects on triplet state aromaticity are also discussed. More information can be found in the Full Paper by Jun Zhu et al. on page 234 in Issue 2, 2016 (DOI: 10.1002/asia.201500897).