Imaging Reaction Dynamics of F–(H2O) and Cl–(H2O) with CH3I
نویسندگان
چکیده
منابع مشابه
Temperature dependence of the OH(-) + CH3I reaction kinetics. experimental and simulation studies and atomic-level dynamics.
Direct dynamics simulations and selected ion flow tube (SIFT) experiments were performed to study the kinetics and dynamics of the OH(-) + CH3I reaction versus temperature. This work complements previous direct dynamics simulation and molecular beam ion imaging experiments of this reaction versus reaction collision energy (Xie et al. J. Phys. Chem. A 2013, 117, 7162). The simulations and experi...
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The reaction times of several well-defined channels of the C-I bond rupture of methyl iodide from the A band, which involves nonadiabatic dynamics yielding ground state I(2P3/2) and spin-orbit excited I*(2P1/2) and ground and vibrationally excited CH3 fragments, have been measured by a combination of a femtosecond laser pump-probe scheme and velocity map imaging techniques using resonant detect...
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The geometries of IO, HCIO, ICH2O, CH3IO, CH3OI, CH2IOH, and ICH2OH have been obtained at the HF and MP2(FU)/6-31G(d) levels of ab initio theory, and the HF/6-31G(d) frequencies are compared with experimental assignments where these are available. The Gaussian-2 method was used to provide thermochemical data for use in atmospheric and combustion modeling. Transition states that connect these sp...
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امروزه سالیتون ها بعنوان امواج جایگزیده ای که تحت شرایط خاص بدون تغییر شکل در محیط منتشر می-شوند، زمینه مطالعات گسترده ای در حوزه اپتیک غیرخطی هستند. در این راستا توجه به پدیده پراش گسسته، که بعنوان عامل پهن شدگی باریکه نوری در آرایه ای از موجبرهای جفت شده، ظاهر می گردد، ضروری است، زیرا سالیتون های گسسته از خنثی شدن پراش گسسته در این سیستم ها بوسیله عوامل غیرخطی بوجود می آیند. گسستگی سیستم عامل...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry A
سال: 2020
ISSN: 1089-5639,1520-5215
DOI: 10.1021/acs.jpca.0c00098