Ionization energies for solvated polycyclic aromatic hydrocarbons

被引：14

作者：

Harada, M ^{[1
]}

Ohga, Y ^{[1
]}

Watanabe, I ^{[1
]}

Watarai, H ^{[1
]}

机构：

[1] Osaka Univ, Grad Sch Sci, Dept Chem, Osaka 5600043, Japan

来源：

CHEMICAL PHYSICS LETTERS | 1999年 / 303卷 / 5-6期

关键词：

D O I：

10.1016/S0009-2614(99)00277-8

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Vertical ionization energies for a series of polycyclic aromatic hydrocarbon molecules in acetonitrile, measured as E-t values by photoelectron emission spectroscopy, are compared with theoretical values derived by a semiempirical MO method, MOMGB, incorporating the solvent effect based on the dielectric continuum model. The calculation reproduces the E-t values with errors less than 10%. (C) 1999 Elsevier Science B.V. All rights reserved.

引用

页码：489 / 492

页数：4

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