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Time-Dependent Density Functional Theory Study on Electronically Excited States of Coumarin 102 Chromophore in Aniline Solvent: Reconsideration of the Electronic Excited-State Hydrogen-Bonding Dynamics

✍ Scribed by Liu, Yufang; Ding, Junxia; Shi, Deheng; Sun, Jinfeng

Book ID: 120272873
Publisher: American Chemical Society
Year: 2008
Tongue: English
Weight: 182 KB
Volume: 112
Category: Article
ISSN: 1089-5639
DOI: 10.1021/jp8022919

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## Abstract The geometric structures and infrared (IR) spectra in the electronically excited state of a novel doubly hydrogen‐bonded complex formed by fluorenone and alcohols, which has been observed by IR spectra in experimental study, are investigated by the time‐dependent density functional theo