Calculations of gamma-ray spectral profiles of linear alkanes in the positron annihilation process
作者： Xiaoguang Ma , Feng Wang
DOI: 10.1016/J.ELSPEC.2014.01.012
关键词: Annihilation 、 Electron 、 Doppler effect 、 Spectral line 、 Physics 、 Atomic physics 、 Valence (chemistry) 、 Photon energy 、 Gamma ray 、 Decane
摘要: Abstract The positron–electron annihilation gamma-ray spectra of linear alkanes CnH2n + 2 (n = 1–12) have been studied systematically. A profile quality (PQ) parameter, χ, is introduced to assess the agreement between obtained theoretical profiles and experimental measurements in entire region energy shift spectra. Together with Doppler (Δɛ) spectra, two parameters, χ Δɛ, are able provide a more comprehensive assessment calculated respect available experiment. Applying recently developed docking model, present study determines positrophilic electrons for individual from which spectral calculated. results achieve an excellent experiment, not only shift, but also photon up 5 keV. further calculates other series without measurements, such as heptane (C7H16), octane (C8H18), decane (C10H22) undecane (C11H24). show dominance lowest occupied valence orbital (LOVO) process, previous studies.
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