Structure and reactivity of phosphate diesters. Dependence on the nonleaving group

摘要: The hydrolytic reactivity of simple phosphate diesters with very good leaving groups is known to be practically independent the nonleaving group at 100 °C. Calculations on (too slow measure) hydrolysis 25 °C a series p-nitrophenyl ROPO2––OpNP wide range OR indicate small but significant effect lower temperature, making R = methyl ester most reactive. This in opposite sense much larger observed for reactions triesters and consistent reaction driven primarily by departure. calculations use continuum model up four discrete water molecules: two or three waters give best results.