title: Photophysics of Dihydroquinazolinone Derivatives: Experimental and Theoretical Studies.
abstract: Herein, we report the synthesis of two dihydroquinazolinone derivative 2-(2-Hydroxy-naphthalen-1-yl)-2, 3-dihydro-1H-quinazolin-4-one (1) and 2-(3-Methyl-thiophen-2-yl)-2,3-dihydro-1H-quinazolin-4-one (2) by using 2-aminobenzamide, 2-hydroxybenzaldehyde and 3-methyl thiophene-2-carboxaldehyde. The synthesized compounds were characterized by 1H NMR, 13C NMR, FT-IR and its spectral, photophysical, intramolecular charge transfer characteristics were studied by absorption and emission spectroscopy. The synthesized compound exhibits significant changes in their photophysical properties depending on the solvent polarity. The observed bathochromic emission band and difference in Stokes shift on changing the polarity of the solvents clearly demonstrate the highly polar character of the excited state. The synthesized compounds were also studied by density functional theory (DFT) and time-dependent density functional theory (TDDFT) to expose the reproducibility by computational means.
authors.affiliation: Research Center for Advanced Materials Science (RCAMS), King Khalid University, P.O. Box 9004, Abha, 61413, Saudi Arabia.
authors.forename: Mehboobali
authors.initials: M
authors.lastname: Pannipara
authors.affiliation: Research Center for Advanced Materials Science (RCAMS), King Khalid University, P.O. Box 9004, Abha, 61413, Saudi Arabia. agmasq@gmail.com.|Department of Chemistry, Faculty of Science, King Khalid University, P.O. Box 9004, Abha, 61413, Saudi Arabia. agmasq@gmail.com.
authors.forename: Abdullah G
authors.initials: AG
authors.lastname: Al-Sehemi
authors.affiliation: Research Center for Advanced Materials Science (RCAMS), King Khalid University, P.O. Box 9004, Abha, 61413, Saudi Arabia.|Department of Chemistry, Faculty of Science, King Khalid University, P.O. Box 9004, Abha, 61413, Saudi Arabia.
authors.forename: Abul
authors.initials: A
authors.lastname: Kalam
authors.affiliation: Department of Chemistry, MES Kalladi College, Mannarkkad, Kerala, 678583, India.
authors.forename: T N
authors.initials: TN
authors.lastname: Mohammed Musthafa
keywords: DFT studies; Dihydroquinazolinone derivatives; Solvent effect