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Novel sign‐alternation rule for the triplet state in aromatic systems
Author(s) -
Gondo Yasuhiko,
Kanda Yoshiya
Publication year - 1980
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560180125
Subject(s) - alternation (linguistics) , sign (mathematics) , excited state , triplet state , phosphorescence , state (computer science) , chemistry , computational chemistry , physics , computer science , mathematics , quantum mechanics , algorithm , philosophy , mathematical analysis , linguistics , fluorescence
Within the framework of the LCAO ‐ MO theory, a novel sign‐alternation rule has been found empirically for the lowest excited ππ* triplet state in the alternant aromatic system. This rule can be applied to identify the phosphorescent state.