Experimental determination of activation rate constant and equilibrium constant for bromo substituted succinimide initiators for an atom transfer radical polymerization process

Abstract Alkyl bromides are used as initiators in most of the atom transfer radical polymerization (ATRP) process and play an important role for controlling ATRP equilibrium. In this work, effect solvent on equilibrium constant ( K ) rate activation k act three isomeric alkyl [namely, N -phenyl(3-bromo-3-methyl)succinimide, -phenyl(3-bromo-4-methyl)succinimide, -phenyl(3-bromomethyl)succinimide] is reported. The values bromide determined experimentally using UV–Vis-NIR spectrometry. termination model compound calculated DOSY NMR spectroscopy. mentioned five different polar polarity observed. obtained -phenyl(3-bromo-3-methyl)succinimide acetonitrile at 25 °C 6.60 × 10 −2 L mol −1 s 1.42 −9 , respectively. These quite comparable with reported acrylates benzyls initiators. Alternatively, investigation possible chain initiation activity carried out theoretically density functional theory (DFT) method [B3LYP/6-31+G(d) level]. A good correlation between studied chosen solvents. Significantly, it found that dependent magnitude increases increasing polarity. proposed bromo substituted succinimides can be initiator acrylates, benzyls, maleimides, itaconimides monomer under selected system.