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. 2017 Dec 18;115(1):64–69. doi: 10.1073/pnas.1715540115

Scheme 1.

Scheme 1.

The mechanism to produce the 2,5 RO2 (orange box) from n-hexane in the atmosphere is shown. This RO2 reacts with NO to produce a hydroxy ketone (RONO2, as shown in Scheme 3, are also produced in a minor channel). Competing with this chemistry is a unimolecular 1,6 RO2 H-shift (autoxidation), which produces a ketohydroperoxide and HO2, after further reaction with O2. The first-order rate constants are provided at 300 K and 1 atm of pressure.