The reaction between
the ground-state hydroxyl radical,
OH(2Π), and ethylene, C2H4,
has been
investigated under single-collision conditions by the crossed molecular
beam scattering technique with mass-spectrometric detection and time-of-flight
analysis at the collision energy of 50.4 kJ/mol. Electronic structure
calculations of the underlying potential energy surface (PES) and
statistical Rice–Ramsperger–Kassel–Marcus (RRKM)
calculations of product branching fractions on the derived PES for
the addition pathway have been performed. The theoretical results
indicate a temperature-dependent competition between the anti-/syn-CH2CHOH (vinyl alcohol) + H, CH3CHO (acetaldehyde) + H, and H2CO (formaldehyde)
+ CH3 product channels. The yield of the H-abstraction
channel could not be quantified with the employed methods. The RRKM
results predict that under our experimental conditions, the anti- and syn-CH2CHOH + H product
channels account for 38% (in similar amounts) of the addition mechanism
yield, the H2CO + CH3 channel for ∼58%,
while the CH3CHO + H channel is formed in negligible amount
(<4%). The implications for combustion and astrochemical environments
are discussed.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.