Solvatochromy and symmetry breaking in two quadrupolar oligophenylenevinylenes

6533b82ffe1ef96bd12950fd

RESEARCH PRODUCT

Solvatochromy and symmetry breaking in two quadrupolar oligophenylenevinylenes

N.a. Nemkovich A.n. Sobchuk Heiner Detert V.i. Tomin T. Wróblewski

subject

Chemistry Solvatochromism 02 engineering and technology 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences Molecular physics Atomic and Molecular Physics and Optics 0104 chemical sciences Analytical Chemistry Dipole Excited state Molecule Density functional theory Symmetry breaking Absorption (chemistry)0210 nano-technology Ground state Instrumentation Spectroscopy

description

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 applied unequivocally show the structural symmetry breaking in the studied compounds.

year	journal	country	edition	language
2020-08-26	Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

https://doi.org/10.1016/j.saa.2020.119395

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