Trends in stabilisation of Criegee intermediates from alkene ozonolysis

Abstract

Stabilisation of CI produced in alkene ozonolysis increases with co-product size, due to lower energy of the nascent CI population.

Evaluated kinetic and photochemical data for atmospheric chemistry: Volume VII – Criegee intermediates

“…h Based on Chew and , Rickard et al (1999), Fenske et al (2000), Siese et al (2001), Orzechowska and Paulson (2002), Aschmann et al (2003) and Alam et al (2013). i Based on Aschmann et al (1996), Paulson et al (1998), Neeb and Moortgat (1999), Malkin et al (2010), Nguyen et al (2016) and Ren et al (2017). j Based on Atkinson et al (1992), Chew and , Paulson et al (1998), Rickard et al (1999), Siese et al (2001), Aschmann et al (2002), Berndt et al (2003), Presto and Donahue (2004) and Forester and Wells (2011).…”

“…In these cases, the recommendations are either inferred from those for the simpler C 2 and C 3 species and E-(CH=CH 2 )(CH 3 )COO or adopted from reported theoretical studies Chhantyal-Pun et al, 2017a). The performance of the ensemble of bimolecular reactions with SO 2 , H 2 O and (H 2 O) 2 (and unimolecular decomposition reactions) has been checked for consistency, using the results of published chamber and slow-flow experiments (Sipilä et al, 2014;Newland et al, 2015b;Nguyen et al, 2016), as described in detail in data sheet CGI_21 (Supplement B). The results provide some confidence in these recommendations for use in practical applications, although the data also support some tolerance in the parameter values applied.…”

“…6.2, the recommendations for the unimolecular decomposition of C 4 sCIs derived from isoprene ozonolysis are adopted from the theoretical study of . These recommendations have been assessed, along with the recommended bimolecular rate coefficients for reactions with SO 2 , H 2 O and (H 2 O) 2 , using the results of published chamber and slow-flow experiments (Sipilä et al, 2014;Newland et al, 2015b;Nguyen et al, 2016), as described in detail in data sheet CGI_21 (Supplement B).…”

“…,Horie et al (1999),Hasson et al (2001a),Alam et al (2011),Newland et al (2015aNewland et al ( , 2020. c Based onHatekayama et al.…”

“…Hakala and Donahue, 2016; Campos-Pineda and Zhang, 2017). i Based on Sipilä et al (2014), Newland et al (2015b) andNguyen et al (2016), as also discussed further in data sheet CGI_21 (Supplement B). j Based on Drozd and Donahue (2011),Sipilä et al (2014) andNewland et al (2018).…”