0000000000745081

AUTHOR

V.i. Tomin

showing 2 related works from this author

Solvatochromy and symmetry breaking in two quadrupolar oligophenylenevinylenes

2020

Electrooptical absorption measurements (EOAM), solvatochromic dependences and quantum chemical simulations testify to large dipole moments change of two quadrupolar oligophenylenevinylenes upon transition to Franck-Condon excited state μeFC. The values of the dipole moments μg and μeFC are in the range [(4.2 - 4.9)1030] C m and (30.8 - 47.0)1030C m, respectively. The relations of dipole moments in the ground and excited states determined by EOAM correlate well with results obtained via the solvatochromic method. Calculations carried out by density functional theory (DFT) show that optimized configuration of the ground state of these molecules is not planar. The results from all methods appl…

ChemistrySolvatochromism02 engineering and technology010402 general chemistry021001 nanoscience & nanotechnology01 natural sciencesMolecular physicsAtomic and Molecular Physics and Optics0104 chemical sciencesAnalytical ChemistryDipoleExcited stateMoleculeDensity functional theorySymmetry breakingAbsorption (chemistry)0210 nano-technologyGround stateInstrumentationSpectroscopySpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
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Specific orientation of dipole moments in azocrown cetocyanine dyes determined by electrooptical absorption measurements (EOAM)

2019

Abstract From electrooptical absorption measurements (EOAM) follows that the dipole moments of azacrown ketocyanine dyes 2,5-di{(E)-1-[4-(4,7,10,13-tetraoxa-1-azacyclopentadecyl)phenyl]methylidene}-1-cyclopentanone (Compound 1) and (E)-1-(2-hydroxy-4methoxyphenyl)-3-[4-(4,7,10,13-tetraoxa-1-azacyclopentadecyl)phenyl]-2-propen-1-one (Compound 2) in the equilibrium ground state μg and the change of dipole moments upon transition to the excited Franck–Condon state Δaμ are large. This alteration causes a significant long-wavelength shift of the absorption and emission spectra, as well as large fluorescence Stokes shift with increasing polarity of the solvent. From the DFT calculations follows t…

Materials scienceTransition dipole momentBiophysics02 engineering and technologyGeneral Chemistry010402 general chemistry021001 nanoscience & nanotechnologyCondensed Matter Physics01 natural sciencesBiochemistryFluorescenceAtomic and Molecular Physics and Optics0104 chemical sciencessymbols.namesakeDipoleExcited stateStokes shiftsymbolsPhysical chemistryEmission spectrum0210 nano-technologyGround stateLone pairJournal of Luminescence
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