Surface modification of nanocrystalline TiO(2) particles (45 A) with bidentate benzene derivatives (catechol, pyrogallol, and gallic acid) was found to alter optical properties of nanoparticles. The formation of the inner-sphere charge-transfer complexes results in a red shift of the semiconductor absorption compared to unmodified nanocrystallites. The binding structures were investigated by us...

We report the proton affinities (PAs) and gas-phase basicities (GBs) of pyrogallol (1,2,3-trihydroxybenzene) phloroglucinol (1,3,5-trihydroxybenzene), as determined by high level quantum chemical calculations a series isodesmic transfer reactions. These yet unmeasured values have relevance to release active species from nanocarriers derived calixarene family macrocycles. The PAs GBs obtained fo...