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基质隔离多环芳烃阳离子的红外光谱。2. 直至蔻的热力学最有利系列的成员。

Infrared spectroscopy of matrix-isolated polycyclic aromatic hydrocarbon cations. 2. The members of the thermodynamically most favorable series through coronene.

作者信息

Hudgins D M, Allamandola L J

机构信息

NASA Ames Research Center, Moffett Field, California 94035, USA.

出版信息

J Phys Chem. 1995 Mar 9;99(10):3033-46. doi: 10.1021/j100010a011.

Abstract

Gaseous, ionized polycyclic aromatic hydrocarbons (PAHs) are thought to be responsible for a very common family of interstellar infrared emission bands. Here the near- and mid-infrared spectra of the cations of the five most thermodynamically favored PAHs up to coronene:phenanthrene, pyrene, benzo[e]pyrene, benzo[ghi]perylene, and coronene, are presented to test this hypothesis. For those molecules that have been studied previously (pyrene, pyrene-d10, and coronene), band positions and relative intensities are in agreement. In all of these cases we report additional features. Absolute integrated absorbance values are given for the phenanthrene, perdeuteriophenanthrene, pyrene, benzo[ghi]perylene, and coronene cations. With the exception of coronene, the cation bands corresponding to the CC modes are typically 2-5 times more intense than those of the CH out-of-plane bending vibrations. For the cations, the CC stretching and CH in-plane bending modes give rise to bands that are an order of magnitude stronger than those of the neutral species, and the CH out-of-plane bends produce bands that are 5-20 times weaker than those of the neutral species. This behavior is similar to that found in most other PAH cations studied to date. The astronomical implications of these PAH cation spectra are also discussed.

摘要

气态、离子化的多环芳烃(PAHs)被认为是造成一类非常常见的星际红外发射带的原因。本文给出了直至蔻的五种热力学上最稳定的PAHs阳离子:菲、芘、苯并[e]芘、苯并[ghi]苝和蔻的近红外和中红外光谱,以验证这一假设。对于之前已研究过的那些分子(芘、芘-d10和蔻),谱带位置和相对强度是一致的。在所有这些情况下,我们报告了其他特征。给出了菲、全氘代菲、芘、苯并[ghi]苝和蔻阳离子的绝对积分吸光度值。除了蔻之外,对应于C-C模式的阳离子谱带通常比C-H面外弯曲振动的谱带强度高2至5倍。对于阳离子,C-C伸缩振动和C-H面内弯曲振动产生的谱带比中性物种的谱带强一个数量级,而C-H面外弯曲产生的谱带比中性物种的谱带弱5至20倍。这种行为与迄今为止研究的大多数其他PAH阳离子中发现的行为相似。还讨论了这些PAH阳离子光谱对天文学的影响。

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