Poly(ethylene glycol) (PEG) in water is known to alter the structure and/or state of water to give a different polarity from that of pure water. We determined using the solvatochromic comparison method the dipolarity/polarizability (pi*), hydrogen bond (HB) accepting basicity (beta) and HB donating acidity (alpha) of aqueous solutions of PEGs of variegated molecular weights at different concent...

The synthesis and characterisation of new trans 2-(thiophen-2-yl)vinyl pyridinium, imidazolium and quinoilinium iodides is reported together with their solvatochromic shifts and EFISH characterization. 2-{(E)-2-[5'-(dibutylamino)-2,2'-bithien-5-yl]vinyl}-1-methyl pyridinium and quinolinium iodides display high μ.β(vec) values up to 1200 × 10(-48) esu. The promising non-linear optical (NLO) prop...

A solvatochromic analysis of available absorption and LE and TICT emission data in p-dimethylaminobenzonitrile (DMABN) was conducted. Applying the Abe method to the results of a thermochromic analysis of DMABN in 1-chlorobutane (ClB) allowed us to determine the polarizability and dipole moment of the excited electronic states involved in the absorption and emission transitions. As shown herein,...

The photophysical and linear and nonlinear spectral properties of octupolar compounds with a triphenylbenzene core are investigated and compared with properties of corresponding dipolar branches. A correlation is found between the solvatochromic behavior and the two-photon absorption cross section. Moreover, the nature of the core is found to be responsible for the nature of the coupling betwee...

The calculation of vertical electronic transition energies of molecular systems in solution with accurate quantum mechanical methods requires the use of approximate and yet reliable models to describe the effect of the solvent on the electronic structure of the solute. The polarizable continuum model (PCM) of solvation represents a computationally efficient way to describe this effect, especial...