A study of UV–vis spectroscopic and DFT calculation of the UV absorber in different solvent

Hare, 2002 Wypych, 2018 Formosinho, 1993, Excited-state proton transfer reactions II. Intramolecular reactions, J. Photochem. Photobiol. A: Chem., 75, 21, 10.1016/1010-6030(93)80158-6 Douhal, 1996, Proton-transfer reaction dynamics, Chem. Phys., 207, 477, 10.1016/0301-0104(96)00067-5 Tsai, 2010, TD-DFT study of the excited-state potential energy surfaces of 2-(2′-hydroxyphenyl) benzimidazole and its amino derivatives, J. Phys. Chem. A, 114, 4065, 10.1021/jp100022y Klessinger, 1995 Domcke, 2004 Karasu, 2014, Free radical photopolymerization initiated by UV and LED: towards UV stabilized, tack free coatings, J. Polym. Sci. Part A: Polym. Chem., 52, 3597 Kociolek, 2013, Benzisoxazole 2‐oxides as novel UV absorbers and photooxidation inhibitors, J. Phys. Org. Chem., 26, 863, 10.1002/poc.3161 Catalán, 1997, Molecular structure of a unique UV stabilizer: Tinuvin P, J. Chem. Soc. Faraday Trans., 93, 1691, 10.1039/a607652a Schaller, 2008, Hydroxyphenyl-s-triazines: advanced multipurpose UV-absorbers for coatings, J. Coat. Technol. Res., 5, 25, 10.1007/s11998-007-9025-0 Baughman, 2009, Structural and spectroscopic studies of the photophysical properties of benzophenone derivatives, J. Phys. Chem. A, 113, 8011, 10.1021/jp810256x Catalan, 1992, Photophysical properties of some 2-(2′-hydroxyaryl) benzotriazoles: dramatic effect of an ortho-located bulky tert-butyl group, J. Am. Chem. Soc., 114, 964, 10.1021/ja00029a026 Turro, 1991, Modern molecular photochemistry Frisch, 2016 Kim, 1994, Comparison of density functional and MP2 calculations on the water monomer and dimer, J. Phys. Chem., 98, 10089, 10.1021/j100091a024 Stephens, 1994, Ab initio calculation of vibrational absorption and circular dichroism spectra using density functional force fields, J. Phys. Chem., 98, 11623, 10.1021/j100096a001 Mennucci, 2002, Polarizable continuum model (PCM) calculations of solvent effects on optical rotations of chiral molecules, J. Phys. Chem. A, 106, 6102, 10.1021/jp020124t Cances, 1997, A new integral equation formalism for the polarizable continuum model: theoretical background and applications to isotropic and anisotropic dielectrics, J. Chem. Phys., 107, 3032, 10.1063/1.474659 Mennucci, 1997, Evaluation of solvent effects in isotropic and anisotropic dielectrics and in ionic solutions with a unified integral equation method: theoretical bases, computational implementation, and numerical applications, J. Phys. Chem. B, 101, 10506, 10.1021/jp971959k Lee, 2013, Active role of proton in excited state intramolecular proton transfer reaction, J. Phys. Chem. A, 117, 1400, 10.1021/jp311884b Hohenberg, 1964, Inhomogeneous electron gas, Phys. Rev., 136, B864, 10.1103/PhysRev.136.B864 Marenich, 2009, Universal solvation model based on solute electron density and on a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensions, J. Phys. Chem. B, 113, 6378, 10.1021/jp810292n Runge, 1984, Density-functional theory for time-dependent systems, Phys. Rev. Lett., 52, 997, 10.1103/PhysRevLett.52.997 Gross, 1990, Time-dependent density-functional theory, 255, 10.1016/S0065-3276(08)60600-0 Almandoz, 2014, UV–Vis spectroscopic study and DFT calculation on the solvent effect of trimethoprim in neat solvents and aqueous mixtures, Spectrochim. Acta Part A Mol. Biomol. Spectrosc., 129, 52, 10.1016/j.saa.2014.02.191 Franck, 1926, Elementary processes of photochemical reactions, Trans. Faraday Soc., 21, 536, 10.1039/tf9262100536 Condon, 1926, A theory of intensity distribution in band systems, Phys. Rev., 28, 1182, 10.1103/PhysRev.28.1182 Corrêa, 2012, Molecular modeling studies of the structural, electronic, and UV absorption properties of benzophenone derivatives, J. Phys. Chem. A, 116, 10927, 10.1021/jp306130y Pijeau, 2017, Excited-State Dynamics of a Benzotriazole Photostabilizer: 2-(2′-Hydroxy-5′-methylphenyl) benzotriazole, J. Phys. Chem. A, 121, 6377, 10.1021/acs.jpca.7b04504 Kuila, 1999, Tris (hydroxyphenyl) ethane Benzotriazole: A Copolymerizable UV Light Stabilizer, 1a, Chem. Mater., 11, 109, 10.1021/cm9805121 Nuru, 2012, Pt–Al2O3 nanocoatings for high temperature concentrated solar thermal power applications, Phys. B Condens. Matter., 407, 1634, 10.1016/j.physb.2011.09.104 Dakka, 2000, Optical properties of Ag–TiO2 nanocermet films prepared by cosputtering and multilayer deposition techniques, Appl. Opt., 39, 2745, 10.1364/AO.39.002745 Zongo, 2015, Synthesis, characterization and femtosecond nonlinear saturable absorption behavior of copper phthalocyanine nanocrystals doped-PMMA polymer thin films, Opt. Mater. (Amst)., 50, 138, 10.1016/j.optmat.2015.10.013 Kalonga, 2013, Characterization and optimization of poly (3-hexylthiophene-2, 5-diyl)(P3HT) and [6, 6] phenyl-C61-butyric acid methyl ester (PCBM) blends for optical absorption, J. Chem. Eng. Mater. Sci., 4, 93, 10.5897/JCEMS2013.0148