Electronic absorption spectra of neutral pentacene (C22H14) and its positive and negative ions in Ne, Ar, and Kr matrices

被引：128

作者：

Halasinski, TM

Hudgins, DM

Salama, F

Allamandola, LJ

Bally, T

机构：

[1] NASA, Ames Res Ctr, Moffett Field, CA 94035 USA

[2] Univ Fribourg, Inst Phys Chem, CH-1700 Fribourg, Switzerland

来源：

JOURNAL OF PHYSICAL CHEMISTRY A | 2000年 / 104卷 / 32期

关键词：

D O I：

10.1021/jp0011544

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：

The absorption spectra of neutral pentacene (C22H14) and its radical cation (C22H14+) and anion (C22H14-) isolated in solid Ne, Ar, and Kr have been measured from the ultraviolet to the near-infrared. The associated vibronic band systems and their spectroscopic assignments are discussed together with the physical and chemical conditions governing molecular anion production in matrices doped with alkali metal (Na or K). TD-DFT calculations were carried out to assist in the assignments for the measured spectral features of the pentacene ions.

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页码：7484 / 7491

页数：8

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