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Inside Cover: A Description of Vibrational Modes in Hexaphyrins: Understanding the Aromaticity Reversal in the Lowest Triplet State (Angew. Chem. Int. Ed. 39/2016)
Author(s) -
Sung Young Mo,
Oh Juwon,
Naoda Koji,
Lee Taegon,
Kim Woojae,
Lim Manho,
Osuka Atsuhiro,
Kim Dongho
Publication year - 2016
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201606588
Subject(s) - aromaticity , antiaromaticity , chemistry , computational chemistry , cover (algebra) , infrared spectroscopy , spectral line , crystallography , molecule , physics , organic chemistry , quantum mechanics , mechanical engineering , engineering
Vibrational spectroscopy sheds light on the relationship between the changes in the molecular structures and aromaticity reversal. Compared to the relatively simple IR spectra of aromatic hexaphyrins, those of antiaromatic hexaphyrins show complex IR spectra, which reflects an interrelation between the aromaticity reversal and structural changes. In their Communication on page 11930 ff. D. Kim et al. analyze this aromaticity reversal by using IR spectroscopic techniques and quantum calculations.