title: Further insight into the reaction FeO(+) + H2 → Fe(+) + H2O: temperature dependent kinetics, isotope effects, and statistical modeling.
abstract: The reactions of FeO(+) with H2, D2, and HD were studied in detail from 170 to 670 K by employing a variable temperature selected ion flow tube apparatus. High level electronic structure calculations were performed and compared to previous theoretical treatments. Statistical modeling of the temperature and isotope dependent rate constants was found to reproduce all data, suggesting the reaction could be well explained by efficient crossing from the sextet to quartet surface, with a rigid near thermoneutral barrier accounting for both the inefficiency and strong negative temperature dependence of the reactions over the measured range of thermal energies. The modeling equally well reproduced earlier guided ion beam results up to translational temperatures of about 4000 K.
authors: Air Force Research Laboratory, Space Vehicles Directorate, Kirtland AFB , Albuquerque, New Mexico 87117-5776, United States.
authors: Shaun G
authors: SG
authors: Ard
authors: Joshua J
authors: JJ
authors: Melko
authors: Oscar
authors: O
authors: Martinez
authors: Vladimir G
authors: VG
authors: Ushakov
authors: Anyang
authors: A
authors: Li
authors: Ryan S
authors: RS
authors: Johnson
authors: Nicholas S
authors: NS
authors: Shuman
authors: Hua
authors: H
authors: Guo
authors: Jürgen
authors: J
authors: Troe
authors: Albert A
authors: AA
authors: Viggiano
mesh_terms: D003198:Computer Simulation; D003903:Deuterium / Q000737:chemistry*; D005290:Ferric Compounds / Q000737:chemistry*; D007477:Ions / Q000737:chemistry; D007501:Iron / Q000737:chemistry*; D007554:Isotopes / Q000737:chemistry; D007700:Kinetics; D008956:Models, Chemical; D015233:Models, Statistical; D013696:Temperature; D014867:Water / Q000737:chemistry*
chemical_list: D005290:Ferric Compounds; D007477:Ions; D007554:Isotopes; D014867:Water; C000499:ferric oxide; D003903:Deuterium; D007501:Iron