Thomas Gstir, Tim Michaelsen, Bryan A Long, András B Nacsa, Atilay Ayasli, Dasarath Swaraj, Fabio Zappa, Florian Trummer, Shaun G Ard, Nicholas S Shuman, Gábor Czakó, Albert A Viggiano, Roland Wester
The competition between the bimolecular nucleophilic substitution (SN 2) and base-induced elimination (E2) reaction and their intrinsic reactivity is of key interest in organic chemistry. To investigate the effect of suppressing the E2 pathway on SN 2 reactivity, we compared the reactions F- + CH3 CH2 I and F- + CF3 CH2 I. Differential cross-sections have been measured in a crossed-beam setup combined with velocity map imaging, giving insight into the underlying mechanisms of the individual pathways. Additionally, we employed a selected-ion flow tube to obtain reaction rates and high-level ab initio computations to characterize the different reaction pathways and product channels...
July 6, 2023: Physical Chemistry Chemical Physics: PCCP