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X-ray single crystal structure and spectroscopic and photophysical parameters of the titled compound were studied. The titled compound shows thermal stability prior to melting at 126.17 [degrees]C with [DELTA]H value of 109.991 12J[g.sup.-1]. Photophysical parameters include singlet electronic absorption, molar absorption coefficient, oscillator strength, and dipole moment of electronic transition, fluorescence spectra, excited state lifetime, and fluorescence quantum yield for 1-((E)-2-phenylethenyl)-2-(4-(2-((E)-2-phenylethenyl) phenoxy) butoxy) (PPPBB) in different solvents. PPPBB displays a little change in maximum absorption and emission spectra with solvent polarity, indicating a slight change in dipole moment of dye molecules upon excitation. The dipole moments' ([DELTA][mu]) difference between the excited and ground states was obtained from the Lippert-Mataga method. Ground and electronic excited states' geometric optimization was performed using density functional theory (DFT) and time-dependent density functional theory (time dependent-DFT), complemented with spectral findings. A good agreement between theoretical data and experimental observations was found. The net photochemical quantum yield ([[phi].sub.c]) of PPPBB dye was calculated in various solvents. Key words: 1-((E)-2-phenylethenyl)-2-(4-(2-((E)-2-phenylethenyl) phenoxy) butoxy) benzene, 1-(E)-styryl-2-(4-(2-(E)-styrylphenoxy) butoxy) benzene, alkoxy bridged styryl benzene, X-ray single crystal structure, density functional theory TD-DFT, photophysical parameters, photochemical quantum yield, 1. Introduction Fluorescent moieties linked by flexible spacers are a very important class of compounds due to their potential application in nucleic acid staining and detection of nucleic acids in [...]

In different solvents, the electronic UV-Vis absorption and emission spectra of 7-(Dimethylamino)-4-(Trifluoromethyl)Coumarin (C152) were monitored. For the C152 molecular structure, the impact of solvent polarity on fluorescence quantum yield is explored. What is more, the critical micelle concentration (cmc) magnitude was calculable employing a plot of fluorescence intensity against cetrimonium bromide (CTAB) and sodium dodecyl sulfate concentrations (SDS). What is more, the photostability of the C152 model structure exploitation utterly varied solvents like acetone, methyl isobutyl ketone, and amyl alcohol in terms of approach for calculating half-life methodology (pumping with nitrogen laser 337.1 nm), yet because of the range of pulses needed to cut back the studied molecule intensity to 50% of its original value. The B3LYP/6-311G(d) level of theory was wont to optimize the C152 molecular structure. Natural bond orbital (NBO) analysis is additionally wont to explore the electronic hyperconjugation of the C152 modeling structure. B3LYP/6-311G++(d, p) is employed to get NBO studies for the molecule under investigation. The computational electronic UV-Vis absorption spectra of the C152 molecule were computed exploitation time-dependent density functional theory (TD-DFT) at the B3LYP/6-311G++(d, p) level in gas and several other solvents. Theoretical findings were contrasted with experimental findings. The results reveal that the computational optical characteristics of the investigated molecular structure accord with the experimental findings. [ABSTRACT FROM AUTHOR]

In various solvents, the experimental electronic UV-Vis absorption and emission spectra of 2,5-Bis(5-tert-butyl-benzoxazole-2-yl) thiophene (BTBB) were assessed. For the BTBB geometrical structure, the dipole moment, laser activity, and experimental luminescence spectra have been investigated in different solvents. Furthermore, the photostability of the BTBB model structure exploitation utterly varied solvents like methanol, amyl alcohol, and dimethylformamide (DMF) in terms of approach for calculating half-life methodology (pumping with nitrogen laser 337.1 nm), yet because of the range of pulses needed to cut back the studied molecule intensity to 50% of its original value. The B3LYP/6-311G (d, p) level of theory was wont to optimize the BTBB geometrical structure. On the other hand, TD-M06-2X/6-311++(3d, 3p) is employed to get calculated spectral behaviors for the molecule under investigation. The computational electronic UV-Vis absorption spectra of the BTBB molecule in various solvents were computed exploitation time dependent density functional theory (TD-DFT) at the M06-2X/6-311++(3d, 3p) level. Theoretical findings were contrasted with experimental findings. The results reveal that the computational optical characteristics of the investigated molecular structure accord with the experimental findings. [ABSTRACT FROM AUTHOR]