Solvation, rotational dynamics, photophysical properties study of aromatic asymmetric di-ketones: An experimental and theoretical approach

Abstract

In this article we have investigated the solvation, rotational dynamics and photo physics of diketone derivatives DK-2 and DK-3 in alcohols and alkanes at room temperature through both a time-resolved fluorescence depolarization technique and steady state. Viscosity of dissolvable varies linearly with respect to rotational times of the molecule. Outcomes are investigated by utilizing the theory of hydrodynamic (SED) Stokes- Einstein-Debye to evaluate the friction with stick and slip limiting conditions. In addition, using the solvatochromic shift and quantum chemical technique aromatic di-ketone derivatives, 1-(40-dodecyl-[1,10-biphenyl]-4-yl)-3-(4-ethoxyphenyl) propane-1,3-dione (DK-2) and 1-(40-dodecyl-[1, 10-biphenyl]-4-yl)-3-(4-(nonyloxy)phenyl)propane-1,3-dione (DK-3) estimated properties of fluorescence. The excitation and emission spectra of DK-2 and DK-3 have been observed in several solvents. The dipole moments calculated using DFT theory and solvatochromic correlations. Estimated (mu(g)) value by DFT theory is relatively greater than the solvatochromic shift techniques. The dipole moments of excited state (mu(e)) are found to be more prominent than dipole moment of ground states (mu(g)) which approves pi -> pi* transition. The variance of dipole moments (Delta mu) was determined from microscopic solvent polarity parameter (ETN) and solvatochromic shift technique and outcomes are compared. (C) 2021 Elsevier B.V. All rights reserved.