title: Daytime reactions of 1,8-cineole in the troposphere.
abstract: Relative rate coefficients for the gas-phase reaction of chlorine atoms (Cl) and hydroxyl radicals (OH) with 1,8-cineole were determined by Fourier-transform infrared (FTIR) spectroscopy between 285 and 313 K at atmospheric pressure. The temperature dependence of both reactions shows simple Arrhenius behaviour which can be represented by the following expressions (in units of cm(3) molecule(-1) s(-1)): k(1,8-cineole+OH)=(6.28 ± 6.53) × 10(-8) exp[(-2549.3 ± 155.7)/T] and k(1,8-cineole+Cl)=(1.35 ± 1.07) × 10(-10) exp[(-151.6 ± 237.7)/T]. Major products of the titled reactions were identified by solid-phase microextraction (SPME) coupled to a GC-MS. Additionally, the first step of the reaction was theoretically studied by ab initio calculations and a reaction mechanism is proposed.
authors.affiliation: Departamento de Química Física, Facultad de Químicas, Universidad de Castilla La Mancha, Ciudad Real, Spain.
authors.forename: Antonio A
authors.initials: AA
authors.lastname: Ceacero-Vega
authors.forename: Bernabé
authors.initials: B
authors.lastname: Ballesteros
authors.forename: Iustinian
authors.initials: I
authors.lastname: Bejan
authors.forename: Ian
authors.initials: I
authors.lastname: Barnes
authors.forename: José
authors.initials: J
authors.lastname: Albaladejo
mesh_terms: D001274:Atmospheric Pressure; D002713:Chlorine / Q000737:chemistry; D003511:Cyclohexanols / Q000737:chemistry*; D000077591:Eucalyptol; D005740:Gases / Q000737:chemistry; D017665:Hydroxyl Radical / Q000737:chemistry; D007700:Kinetics; D008958:Models, Molecular; D039821:Monoterpenes / Q000737:chemistry*; D017550:Spectroscopy, Fourier Transform Infrared; D013696:Temperature; D013816:Thermodynamics
chemical_list: D003511:Cyclohexanols; D005740:Gases; D039821:Monoterpenes; D017665:Hydroxyl Radical; D002713:Chlorine; D000077591:Eucalyptol