Study of Role of Silver Nanoparticles on Spectroscopic Properties of a KetocyanineDye

The role of silver nanoparticles on spectroscopic properties of the ketocyaninedye 2,5-di[(E)-1-(4- dimethylaminophenyl) methylidine]-1-cyclopentanone (2,5-DMAPMC) has been investigated using absorption and fluorescence spectroscopy. Silver nanoparticles are synthesized by chemical reduction method and estimated size from SEM measurements is 22 nm. The changes in absorption spectrum of dye in the presence of silver nanoparticles suggest the possible interaction with silver nanoparticles. The Stern-Volmer plot of fluorescence quenching is found to be nonlinear showing positive deviation. The magnitude of quenching rate parameter and fluorescence lifetime measurements indicates the presence of both collisional and static quenching mechanisms. The binding constant and number of binding sites for static part of the quenching have bee

Study of Solvent Effect in 2, 5-DPAPMC Dye Using Different Solvent Polarity Parameters and Estimation of Dipole Moments

The solvent effect on absorption and fluorescence spectra of      a ketocyanine      dye 2,5-di[(E)-1-(4- dipropylaminophenyl)     methylidine]-1-cyclopentanone (2,5-DPAPMC) is analysed using Lippert-Mataga bulk polarity function, Reichardt’s microscopic solvent polarity parameter and Kamlet’s multipl e linear regression approach. The spectral properties better follows Reichardt’s microscopic solvent polarity parameter than Lippert-Mataga bulk polarity parameter. This indicates the presence of both general solute – solvent interactions and specific   interactions.   Kamlet’s multiple linear regression   approach indicates the major role of polarizability/dipolarity solvent influence than HBD and HBA. The spectral data in different solvents is used to estimate excited state dipole moment using theoretically determined ground state dipole moment. The excited state dipole moment of dye is found to be larger than its corresponding ground state dipole moment and, ground and excited state dipole moments are not parallel, but subtends an angle of 29 o

Preferential solvation and bimolecular quenching reactions of boronic acid dye at very low quencher concentrations studied by fluorescence spectrum in toluene and butanol binary mixtures

Inferable from the significance of solvent mixtures in practical chemistry, toluene (TL) and butanol (BL) mixtures are used to studyfluorescence behavior of boronic acid dye 2-methoxy-5-fluoro-phenyl boronic acid (2MEFPBA). At the inception, preferential solvation is examined in TL-BL, to understand specific and nonspecific interactions. Suppan’s dielectric enrichment model is further used to understand the nonideality and dielectric enrichment in TL-BL mixtures for preferential solvation. Bimolecular quenching reaction studies of 2MEFPBA with aniline as quencher are made in mixtures of TL–BLto know the effect of viscosity and dielectric constant variation at room temperature. The quenching process is studied in all solvent mixtures by steady state and transient state method. Quenching is characterized by S-V plots having upward curvature. Analysis of modified S-V equations which accounts both static and dynamic quenching allows calculating bimolecular quenching rate constant. The bimolecular quenching reactions are found to be significantly larger. Further finite sink approximation model is invoked so as to check whether reactions are diffusion limited. The extents of these rate parameters demonstrate that positive deviations in the Stern-Volmer (S-V) plot are because of the presence of apparent static and dynamic quenching process

Preferential solvation and bimolecular quenching reactions of boronic acid dye at very low quencher concentrations studied by fluorescence spectrum in toluene and butanol binary mixtures

168-177Inferable from the significance of solvent mixtures in practical chemistry, toluene (TL) and butanol (BL) mixtures are used to studyfluorescence behavior of boronic acid dye 2-methoxy-5-fluoro-phenyl boronic acid (2MEFPBA). At the inception, preferential solvation is examined in TL-BL, to understand specific and nonspecific interactions. Suppan’s dielectric enrichment model is further used to understand the nonideality and dielectric enrichment in TL-BL mixtures for preferential solvation. Bimolecular quenching reaction studies of 2MEFPBA with aniline as quencher are made in mixtures of TL–BLto know the effect of viscosity and dielectric constant variation at room temperature.  The quenching process is studied in all solvent mixtures by steady state and transient state method. Quenching is characterized by S-V plots having upward curvature. Analysis of modified S-V equations which accounts both static and dynamic quenching allows calculating bimolecular quenching rate constant. The bimolecular quenching reactions are found to be significantly larger. Further finite sink approximation model is invoked so as to check whether reactions are diffusion limited. The extents of these rate parameters demonstrate that positive deviations in the Stern-Volmer (S-V) plot are because of the presence of apparent static and dynamic quenching process

Analysis of Fluorescence Quenching of BPBD by Aniline in Toluene

Fluorescence quenching of 2-(4'-t-Butylphenyl)-5-(4"-biphenylyl)-1,3,4-oxadiazole (BPBD) by aniline in toluene has been carried out at room temperature by steady state and time resolved fluorescence spectroscopy. The Stern-Volmer plot by steady state method has been found to be non-linear showing a positive deviation, whereas by time-resolved method it is linear. In order to interpret these results we have used the ground state complex and sphere of action static quenching models. Using these models various rate parameters have been determined. Based on these models, with finite sink approximation model, we conclude that positive deviation Stern-Volmer plot is due to the simultaneous presence of dynamic and static quenching processes

Effect of hydrogen bonding and solvent polarity on the fluorescence quenching and dipole moment of 2-methoxypyridin-3-yl-3-boronic acid

Two photophysical properties namely, fluorescence quenching and dipole moment (both ground state and excited state) of 2-methoxypyridin-3-yl-3-boronic acid (2MPBA) have been investigated in alcohol environment using steady state fluorescence technique at 300 K. In quenching studies, a rare but not unusual observation; negative Stern-Volmer (S-V) deviation has been noticed. It has been explained using the concept of solute’s conformational changes in the ground state due to inter-molecular and intra-molecular hydrogen bonding in alcohol environment. The spectroscopic data has been processed using Lehrer equation and thereby Stern-Volmer constant (KSV) has been evaluated. It has been found to be above 100 for most of the solvents used. The data related to dipole moment has been examined using different solvent polarity functions. Theoretical calculation of dipole moment in the ground state has been done using Gaussian software. The general solute–solvent interactions and hydrogen bond interactions have been found to be operative. An appreciable red shift of about 25 nm in the emission spectra has been identified with the rise in solvent polarity and decrease in molar mass of alcohols. It confirms the π→π* transition as well as the possibility of intra-molecular charge transfer (ICT) character in the emitting singlet state of 2MPBA

Examining the spectroscopic features and quantum chemical computations of a Quinoline derivative: Experimental and theoretical insights into the photophysical characteristics

503-515The solvatochromic studies in a Quinoline derivative molecule namely Quinolin-8-ol (QO) have been carried out at ambient temperature using absorption and fluorescence spectroscopy. The QO molecule shows the bathochromic shift with increase in solvent polarity demonstrating π → π* transition. The solvatochromic data coupled with quantum mechanical calculations has been used to estimate change in dipole moment of the molecule after excitation. It has been found that excited state dipole moment is greater than the corresponding ground state dipole moment. Further, it is observed that excited and ground state dipole moments are parallel. The chemical reactivity and kinetic stability of QO molecule are investigated using Frontier molecular orbital (FMO) analysis. Natural bond orbital (NBO) analysis shows proton transfer within the selected donor-acceptor depicting large energy of stabilization for QO molecule. The calculated Fukui functions infer the local softness and local eletrophilicity index of QO molecule. The theoretically simulated UV-Vis absorption spectrum of QO molecule matches well with the experimental spectrum

Examining the spectroscopic features and quantum chemical computations of a Quinoline derivative: Experimental and theoretical insights into the photophysical characteristics

The solvatochromic studies in a Quinoline derivative molecule namely Quinolin-8-ol (QO) have been carried out at ambient temperature using absorption and fluorescence spectroscopy. The QO molecule shows the bathochromic shift with increase in solvent polarity demonstrating π → π* transition. The solvatochromic data coupled with quantum mechanical calculations has been used to estimate change in dipole moment of the molecule after excitation. It has been found that excited state dipole moment is greater than the corresponding ground state dipole moment. Further, it is observed that excited and ground state dipole moments are parallel. The chemical reactivity and kinetic stability of QO molecule are investigated using Frontier molecular orbital (FMO) analysis. Natural bond orbital (NBO) analysis shows proton transfer within the selected donor-acceptor depicting large energy of stabilization for QO molecule. The calculated Fukui functions infer the local softness and local eletrophilicity index of QO molecule. The theoretically simulated UV-Vis absorption spectrum of QO molecule matches well with the experimental spectrum

Spectral properties of laser dyes at varying temperatures

Spectral properties of laser dyes 4-methyl-7-(4-morpholinyl)-2H-pyrano[2,3-b]-pyridin-2-one (LD-425) and 6,7,8,9-tetrahydro-6,8,9-trimethyl-4-(trifluoromrthyl)-2H-pyrano[2,3b][1,8]naphthyridin-2-one (LD-489) have been investigated in the temperature range 25 °C−65 °C by steady-state and transient methods. Fluorescence intensity decreases with increase in temperature, with fluorescence band maxima shifted towards shorter wavelengths in both dyes. Furthermore, fluorescence lifetime has decreased with increase in temperature for LD-425, whereas it remained constant with change in temperature for LD-489. The possible deactivation mechanisms are discussed. The quenching effect of these dyes in the presence of aniline at different temperatures has been studied and the Stern–Volmer (S–V) plots are nonlinear, showing positive deviation. It has been observed that the dynamic quenching constant increases with temperature, whereas the static quenching constant is independent of temperature.The accepted manuscript in pdf format is listed with the files at the bottom of this page. The presentation of the authors' names and (or) special characters in the title of the manuscript may differ slightly between what is listed on this page and what is listed in the pdf file of the accepted manuscript; that in the pdf file of the accepted manuscript is what was submitted by the author

Theoretical and experimental studies on electronic structure and photophysical properties of biological active substituted hydroxyquinolin-2(1H)-one fluorophore

In this study, the solvents effects on the photophysical characteristics of compound 1-(((4-bromophenyl)amino)(4-methoxyphenyl)methyl)-6-hydroxyquinolin-2(1H)-one (4BMHQ) was investigated using several polarity functions such as Kamlet's and Catalan's methods. The absorption spectral peak was unaffected by changing the solvent polarity; however, under the same circumstances, we observed a red shift of 16 nm in the fluorescence spectral peak as the solvent polarity increased. The system has general hydrogen bonding interactions as well as interactions between solute and solvent. Nonetheless, hydrogen bonding interactions have a lower impact than classical solute-solvent interactions. The ground state dipole moment was calculated using the quantum chemistry approach, while the excited state dipole moments were obtained using solvatochromic data. It is revealed that the excited state dipole moment is greater than the ground state dipole moment. DFT investigations provide the most stable structure and molecular characteristics of a molecule in its ground electronic state. Molecular parameters such as HOMO-LUMO energy, global descriptors, and the potential energy surface were used to investigate the compound's structural features