Ground and excited state dipole moments of coumarin 337 laser dye

Raikar, U. S.; Tangod, V.B.; Mannopantar, S.R.; Mastiholi, B.M.

doi:10.1016/j.optcom.2010.06.037

Cited by 32 publications

(14 citation statements)

References 28 publications

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“…3 Both the Bakhshiev and the Kawski-Chamma-Viallet function exhibit linear dependence on the Stokes shift λ a -λ e . This is frequently utilized for determining m 1 and m 2 , and from these the solute dipole moments of the ground and excited state, by measuring the solvatochromic shifts of a solute dye in different solvents of known ε and n. 25,27 In this work the two polarity functions were combined to eliminate λ a , which gives Eq. (2) (see Eqs.…”

Section: Discussionmentioning

confidence: 99%

Indicating pressure and environmental effects by means of the spectral shift with rhodamine B and fluorescein

Johann

2015

AIP Advances

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Fluorescence absorption and emission wavelengths can be influenced by environmental conditions, such as pressure, temperature and concentration. Here those effects are explored with an emphasis on determining the potential of rhodamine B and fluorescein as high-pressure indicators. The red shift of the emission peak maxima of rhodamine B and fluorescein are investigated in dependence of pressure up to 200 MPa using as the solvents water, ethanol and poly(dimethylsiloxane) (PDMS) with rhodamine B and water, polystyrene beads and melamine resin beads with fluorescein. Emission spectra recording and peak fitting is done automatically at time intervals of down to a second and with 0.3 nm wavelength resolution. The wavenumber-pressure relation for rhodamine B reveals increasing divergence from linear behavior in the sequence of the solvents water, ethanol and silicone rubber. Graphical correlation of the data diverging only slightly from linearity with a selection of polarity functions is enabled using the concept of 'deviation from linearity (DL)' plots. Using the example of rhodamine B dissolved in PDMS elastomer it is shown that there is a temperature induced irreversible molecular reordering, when scanning between 3 and similar to 50 degrees C, and a polarity change in the proximity of the embedded dye molecule. Swelling studies are performed with PDMS containing rhodamine B, where the elastomer is first put in water, then in ethanol and again in water. There a complex solvent exchange process is revealed in the elastomer demonstrating the feasibility of fluorescence spectroscopy, when observing variations in wavelength, to indicate and enlighten molecular rearrangements and swelling dynamics in the polymer, and polarity changes and solvent exchange processes in the dye solvation shell

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Section: Discussionmentioning

confidence: 99%

Indicating pressure and environmental effects by means of the spectral shift with rhodamine B and fluorescein

Johann

2015

AIP Advances

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“…Therefore, in solution the solute-solvent and solvent-solvent interactions affect the π interactions of aromatic rings [ 32 ]. The role of the effect of solvents on the absorption and fluorescence of organic compounds has been extensively studied [ 33 , 34 , 35 , 36 , 37 , 38 , 39 , 40 , 41 ]. Spectral shifts to either the blue or the red as well as in the intensity of the emission can be due to effects of solvents polarity [ 7 , 9 ], the variations in temperature [ 33 , 42 ], and the pH values [ 34 , 35 , 36 ].…”

Section: Introductionmentioning

confidence: 99%

Solution and Solid-State Photophysical Properties of Positional Isomeric Acrylonitrile Derivatives with Core Pyridine and Phenyl Moieties: Experimental and DFT Studies

et al. 2021

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The compounds I (Z)-2-(phenyl)-3-(2,4,5-trimethoxyphenyl)acrylonitrile with one side (2,4,5-MeO-), one symmetrical (2Z,2′Z)-2,2′-(1,4-phenylene)bis(3-(2,4,5-trimethoxyphenyl)acrylonitrile), II (both sides with (2,4,5-MeO-), and three positional isomers with pyridine (Z)-2-(pyridin-2- 3, or 4-yl)-3-(2,4,5-trimethoxyphenyl)acrylonitrile, III–V were synthetized and characterized by UV-Vis, fluorescence, IR, H1-NMR, and EI mass spectrometry as well as single crystal X-ray diffraction (SCXRD). The optical properties were strongly influenced by the solvent (hyperchromic and hypochromic shift), which were compared with the solid state. According to the solvatochromism theory, the excited-state (μe) and ground-state (μg) dipole moments were calculated based on the variation of Stokes shift with the solvent’s relative permittivity, refractive index, and polarity parameters. SCXRD analyses revealed that the compounds I and II crystallized in the monoclinic system with the space group, P21/n and P21/c, respectively, and with Z = 4 and 2. III, IV, and V crystallized in space groups: orthorhombic, Pbca; triclinic, P-1; and monoclinic, P21 with Z = 1, 2, and 2, respectively. The intermolecular interactions for compounds I–V were investigated using the CCDC Mercury software and their energies were quantified using PIXEL. The density of states (DOS), molecular electrostatic potential surfaces (MEPS), and natural bond orbitals (NBO) of the compounds were determined to evaluate the photophysical properties.

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“…The knowledge of the excited state dipole moment of the molecule would be helpful in explaining the nature of excited states, in describing the course of its photophysical/photochemical transformations, and in designing the nonlinear optical devices, and it allows one to judge the site of attack by electrophilic and nucleophilic reagents in photochemical reactions, etc. [18][19][20][21][22][23][24][25][26][27][28].…”

Section: Introductionmentioning

confidence: 99%

Modulation of benzofuran structure as a fluorescent probe to optimize linear and nonlinear optical properties and biological activities

Krawczyk

2020

J Mol Model

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The study presents the influence of structure modulation by introducing selected donor and acceptor substituents on optical properties of benzofuran used in biological imaging. As the starting form, 2-(5-formylbenzofuran-2-yl)acetamide described experimentally was used. This molecule contains an aldehyde group as reactive site, through which conjugation with protein occurs. Structure modulation was carried out by attaching additional electron-donating and electron-withdrawing substituents to the amino group, namely -NH2, -NHCH3, -NO2, -OH, and -OCH3. Studies have shown that the -NH2, -NHCH3, -OH, and -OCH3 substituents do not induce a significant change in the position of maximum absorption and fluorescence relative to each other. They also do not change the parameters describing the nonlinear response. Only the presence of the -NO2 substituent results in significant solvatochromic shifts. Changing substituents also does not significantly affect the LD50 value, and all tested fluorescent probes should not be considered toxic to humans. Modulation of the benzofuran derivative structure also does not change the active center in which the biocomplex with the protein is formed. In each case, the conjugation takes place via LYS114. In addition, the study was prompted to analyze the linear and nonlinear optical properties of conjugates formed after the reaction with Concanavalin A. Graphical abstract

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Ground and excited state dipole moments of coumarin 337 laser dye

Cited by 32 publications

References 28 publications

Indicating pressure and environmental effects by means of the spectral shift with rhodamine B and fluorescein

Indicating pressure and environmental effects by means of the spectral shift with rhodamine B and fluorescein

Solution and Solid-State Photophysical Properties of Positional Isomeric Acrylonitrile Derivatives with Core Pyridine and Phenyl Moieties: Experimental and DFT Studies

Modulation of benzofuran structure as a fluorescent probe to optimize linear and nonlinear optical properties and biological activities

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