Radical Intermediates in the Addition of OH to Propene: Photolytic Precursors and Angular Momentum Effects ISMS 2014 Matthew Brynteson, Carrie Womack,

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Presentation transcript:

Radical Intermediates in the Addition of OH to Propene: Photolytic Precursors and Angular Momentum Effects ISMS 2014 Matthew Brynteson, Carrie Womack, Ryan Booth, Shih-Huang Lee, Jim Lin, and Laurie Butler

OH + Propene + OH propene 193 nm 2-bromo-1-propanol 1-bromo-2-propanol

CCSD(T)/cc-PVDZ//B3LYP/cc-pVDZ Huynh et al. J. Phys. Chem. A, 2009, 113,

CCD Camera MCP Detector & Phosphor Screen Electrostatic Lenses Photolysis Laser (193 nm) Pulsed Valve skimmer V Vground REMPI for Br and Br * 10.5 eV Photoionization 750V He Velocity Map Imaging Apparatus 70% 1-bromo-2-propanol 30% 2-bromo-1-propanol

C 3 H 6 OH Ethene + CH 2 OH + ionization C 3 H 6 OH + dissociation

Dissociation!

ET’ET’ ET”ET” 30 kcal/mol Radical + Br 30 kcal/mol 9 – 18 kcal/mol OH + Propene 3 – 12 kcal/mol 0 – 4.5 kcal/mol E rot = 19 kcal/mol

OH Net Speed Propene Net Speed radical OH Net velocity

OH Net Speed CD 2 CD 2 Net Speed radical OH Net velocity 193 nm +

Thank You! Butler Group – Dr. Carrie Womack* – Dr. Ryan Booth* – Dr. Chow-Shing Lam* – Lei Wang – Jon Adams – Preston Scrape – Prof. Laurie Butler*