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Excited state intramolecular proton transfer and substituent effect of 10-hydroxybenzo[h]quinoline: A time-dependent density functional theory study

✍ Scribed by Chai, Shuo; Cong, Shu-Lin


Book ID
121689753
Publisher
Elsevier
Year
2014
Tongue
English
Weight
880 KB
Volume
1034
Category
Article
ISSN
2210-271X

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## Abstract The time‐dependent density functional theory (TDDFT) method was carried out to investigate the hydrogen‐bonded intramolecular charge‐transfer (ICT) excited state of 4‐dimethylaminobenzonitrile (DMABN) in methanol (MeOH) solvent. We demonstrated that the intermolecular hydrogen bond C≡N·