کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5409468 1506544 2017 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Polaronic exciton and its energy levels in water structure
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Polaronic exciton and its energy levels in water structure
چکیده انگلیسی
Polaronic exciton behavior is considered in water structure under elastic and inelastic interaction of water with the incident light. The consideration allows deriving water polarizability from kinetic energy estimation using oscillators corresponding to structural molecular parameters and features of the interaction with photon. Kinetic energy estimations of polaronic exciton successfully explain few excitation energies of gaseous and liquid water including 7.4499 and 21.38 eV that are found in a good agreement with Eex = 7.447 eV (λ = 166.6 nm) and near 56 nm (22 eV), which was observed under inelastic X-ray scattering. The energy estimations imply the view of several energetic levels of polaronic exciton depending on the local interactions in water. Water polarizability (α) estimated as the difference in behavior under elastic and inelastic interaction with the incident photon, is found to be 1.4693 Å3 that is slightly different from the adopted α = 1.470 Å3.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Liquids - Volume 227, February 2017, Pages 262-267
نویسندگان
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