We propose and test an empirical nucleofugality index to rank the leaving group ability of a series of molecular fragments present in nucleophilic substitution reactions of carbonyl and thiocarbonyl derivatives. The ...

The reactivity of halogenated ethers, especially hydrochloroethers, with hydroxyl radicals and chlorine atoms was studied by correlating the room-temperature rate coefficients with both the C–H bond dissociation energies ...

The rate constants for hydroxyl radical reaction toward a set of nitroaromatic substrates kS, have been measured at 25ºC using competition experiments in the UV/H2O2 process. For a given pair of substrates S1 and S2, the ...

The multiredox reactivity of bioinorganic cofactors is often coupled to proton transfers. Here we investigate the structural, thermochemical, and electronic structure of ruthenium-amino/amido complexes with multi- ...

We report a kinetic study on the reactions of secondary alicyclic amines toward 4-nitrophenyl, 2,4-dinitrophenyl, and 2,4,6-trinitrophenyl acetates (1, 2, and 3) in ethanol/water mixtures of different compositions. It is ...