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Electron-induced proton transfer (EIPT) in 2-hydroxypyridine/2-pyridone tautomeric dimer anions: A photoelectron spectroscopic and density functional theory study

التفاصيل البيبلوغرافية
العنوان: Electron-induced proton transfer (EIPT) in 2-hydroxypyridine/2-pyridone tautomeric dimer anions: A photoelectron spectroscopic and density functional theory study
المؤلفون: Alexandra Vlk, Xinxing Zhang, Chalynette Martinez-Martinez, Kit H. Bowen, Yi Wang, Sarah Stokes
المصدر: Chemical Physics Letters. 730:634-637
بيانات النشر: Elsevier BV, 2019.
سنة النشر: 2019
مصطلحات موضوعية: Proton, Dimer, Intermolecular force, General Physics and Astronomy, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Tautomer, 0104 chemical sciences, Ion, 2-Pyridone, Crystallography, chemistry.chemical_compound, X-ray photoelectron spectroscopy, chemistry, Density functional theory, Physical and Theoretical Chemistry, 0210 nano-technology
الوصف: Anion photoelectron spectroscopy and density functional theory computations were conducted on the 2-hydroxypyridine/2-pyridone tautomeric dimer anion system. Their experimentally-measured, composite vertical detachment energy (VDE) of 1.21 ± 0.05 eV compares well with their theoretically-determined VDE values of 1.15 eV and 1.20 eV, supporting our conclusion that intermolecular electron-induced proton transfer (EIPT) has taken place in these dimer anions.
تدمد: 0009-2614
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::907f9a5e18f89bf96052ff5dfa0be564
https://doi.org/10.1016/j.cplett.2019.06.066
حقوق: OPEN
رقم الأكسشن: edsair.doi...........907f9a5e18f89bf96052ff5dfa0be564
قاعدة البيانات: OpenAIRE
الوصف
تدمد:00092614