Photoelectron spectroscopy of pyrene cluster anions, (pyrene)-n (n=1-20)
Photoelectron spectroscopy of pyrene cluster anions, (pyrene)-n (n=1-20)
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DOI：
10.1016/j.cplett.2004.03.100
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发表时间：
2004-05-11
影响因子：
2.8
通讯作者：
Nakajima, A
中科院分区：
文献类型：
--
作者：
Ando, N;Kokubo, S;Nakajima, A
用阴离子光电子能谱研究了Py分子阴离子及其均一团簇(Py)(N)(-)(n=2-20)。直接测定了芘的绝热电子亲和势(EA(A))为0.406+/-0.010 eV。这个Ea(A)值与用密度泛函方法计算的Ea(A)值一致，表明过剩电子占据了Py分子最低的空位分子轨道。其团簇阴离子的光电子能谱表明，Py二聚体阴离子中的过剩电子分散在两个Py基团上，而在较大的团簇中，过剩电子主要集中在单个Py分子上。(C)2004爱思唯尔B.V.保留所有权利。
Pyrene molecular anion and its homogeneous clusters, (pyrene)(n)(-) (n = 2-20), have been studied by anion photoelectron spectroscopy. The adiabatic electron affinity (EA(a)) of pyrene was directly determined to be 0.406 +/- 0.010 eV. This EA(a) value agrees with that calculated using the method of density functional theory, showing that the excess electron occupies the lowest unoccupied molecular orbital of pyrene molecule. Photoelectron spectra of its cluster anions suggest that the excess electron in the pyrene dimer anion is delocalized over the two pyrene moieties, whereas in larger clusters the excess electron is predominantly localized on a single pyrene molecule. (C) 2004 Elsevier B.V. All rights reserved.