Urmase magistritöö kokkuvõte

Esitati ja testiti rea solvatokroomsete indikaatoritega (1-etüül-4-nitrobenseen, 2-nitroanisool, 4-nitroaniliin, 4-nitrofenool, 2,6-difenüül-4- (2,4,6-trifenüül-1-püridino)-1-fenolaat, naatrium-4-[4-(-karboksülatofenüül)-2,6-difenüül-1-püridino]-2,6-difenüülfenolaat) alkoholide (metanool, etanool, 2-propanool ning 2-metüül-2-propanool) binaarsetes segudes veega eelistatud solvatatsiooni mudelit, mis võtab arvesse vee struktureerituse kasvu alkoholi väikese koguse lisamisel. Uus mudel täiendab varasemat, mis oli loodud solvatokroomsetele indikaatoritele binaarsete solvendisegude jaoks. Uus mudel sisaldab parandusliiget, mis arvestab vee struktureerituse mõju mõõdetud solvatokroomsele omadusele ning võimaldab seda efekti kvantitatiivselt määrata.

A preferential solvation model that takes into account the enhancement of the structure of water when small amounts of alcohol are added is proposed and tested for solvatochromic indicators (1-ethyl-4-nitrobenzene, 2-nitroanisole, 4-nitroaniline, 4-nitrophenol, 2,6-diphenyl-4-(2,4,6-triphenyl-1-pyridinio)-1-phenolate and sodium-{4-[4-(4-carboxylatophenyl)-2,6-diphenyl-1-pyridinio-2,6-diphenolate}) in binary mixtures of alcohol (methanol, ethanol, 2-propanol and 2-methylpropan-2-ol) with water. The model modifies an equation previously developed for solvatochromic indicators in binary mixtures. The new model includes a correction term for the effect of the enhancement of water structure on the measured solvatochromic property that allows a quantitative estimation of this effect.

It is shown that "superstructured" water is more polar and has a higher hydrogen bond donor capability, but a smaller hydrogen bond acceptor ability, than common water.