Fig 1 . TIP4P energy minimized structure of water cluster
containing 50 water molecules.
3.2 Formation of Criegee Intermediate (CI): Carbonyl oxides or
CIs are those atmospheric intermediate which significantly act as
non-photolytic source of many tropospheric reaction processes. Johnsonet.al proved that the carbonyl oxides are produced via alkene
ozonolysis having significant amount of internal energy to undergo
either unimolecular or bimolecular reactions depending upon their
stability.20 As tropospheric abundances of alkenes and
ozone are relatively higher, it is worthwhile to study the formation of
CI through the reaction between C2H4with O3. Fig 2 shows the reaction energetic.