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Determination of absolute photoionization cross-sections of alkanes and cyclo-alkanes

Journal 2010 · IF 2.695 · 24(9): 1335-1342 · 发表于 2010 年 4 月 7 日
作者: Zhongyue Zhou,Lidong Zhang,Mingfeng Xie,Zhandong Wang,Dongna Chen,Fei Qi
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摘要

Absolute photoionization and dissociative photoionization cross-sections of eleven n- alkanes ( n- pentane, n -hexane, n- heptane, n- nonane, n- decane, n -undecane, n- dodecane, n- tridecane, n- tetradecane, n- pentadecane and n- hexadecane), three cyclo -alkanes (cyclopentane, methylcyclohexane and trans -decahydronaphthalene) and iso -octane were measured for photon energies from the ionization thresholds to 11.5 eV. The measurements were performed with the binary-liquid-mixture method utilizing the photoionization cross-sections of benzene as a calibration standard. The ionization energies of n -alkanes and cyclo -alkanes were also calculated at the B3P86/6-31 + +G(d,p) level and by the G3B3 method. Copyright © 2010 John Wiley & Sons, Ltd.