Substituent effect on the intramolecular hydrogen bond and the proton transfer process in pyrimidine azo dye : A computional study

Substituent effect on the intramolecular hydrogen bond and the proton transfer process in pyrimidine azo dye : A computional study

This study provides a complete analysis of the electronic and photophysical properties of, the derivative of uracil, IsoOrotic (IOA) azo dyes. The ability of the dye to work as an excited state intramolecular proton transfer (ESIPT) was investigated by using Density Functional Theory (DFT) and Time...

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Bibliographic Details
Main Authors: Shaaban A. Elroby, Khalid H. Aloufi, Saadullah G. Aziz, Abdesslem Jedidi, Walid I. Hassan, Osman I. Osman
Format: Article
Language:English
Published: Elsevier 2023-12-01
Series:Results in Chemistry
Subjects:
ESIPT
DFT
TD-DFT
Intramolecular Hydrogen Bond
IsoOrotic (IOA)
Online Access:http://www.sciencedirect.com/science/article/pii/S2211715623002734

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