Infrared Spectrum of Protonated Corannulene H+C20H10 in Solid para-Hydrogen and its Potential Contribution to Interstellar Unidentified Infrared Bands
Infrared Spectrum of Protonated Corannulene H+C20H10 in Solid para-Hydrogen and its Potential Contribution to Interstellar Unidentified Infrared Bands
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固体仲氢中质子化冠环烯 H C20H10 的红外光谱及其对星际未识别红外波段的潜在贡献
DOI：
10.1021/acsearthspacechem.8b00089
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发表时间：
2018
影响因子：
3.4
通讯作者：
Lee Yuan-Pern
中科院分区：
文献类型：
--
作者：
Sundararajan Pavithraa;Tsuge Masashi;Baba Masaaki;Lee Yuan-Pern
多环芳烃（PAH）及其衍生物，包括质子化和阳离子物质，被认为是银河系和河外源红外辐射带的携带者。我们扩展我们的调查质子化的平面PAH的红外（IR）光谱的非平面PAH，corannulene（C20 H10），这被认为是一个片段的富勒烯，C60。在3.2K下，用电子轰击角轮烯和仲氢（p-H2）的混合物，在沉积过程中产生质子化的角轮烯H+ C20 H 10。在黑暗中的电子轰击矩阵的维护过程中，质子化corannulene的红外线的强度下降，因为被从被困网站缓慢释放的电子中和。根据对365 nm二次照射的反应，将观察到的谱线分为两组。一组中的18条谱线被指定为五种可能的异构体中能量最低的物种，hub-H+ C20 H10，另一组中的17条谱线被指定为第二低能量的物种-H + C20 H10。光谱归属的基础上得到的观测到的光谱与预测的B3 PW 91/6-311++G（2d，2 p）方法的比较。观察到的hub-H + C20 H10的红外光谱类似于A类UIR谱带的几个谱带。
Polycyclic aromatic hydrocarbons (PAH) and their derivatives, including protonated and cationic species, are suspected to be carriers of the unidentified infrared (UIR) emission bands observed from the galactic and extragalactic sources. We extended our investigations of infrared (IR) spectra of protonated planar PAH to a nonplanar PAH, corannulene (C20H10), which is regarded as a fragment of a fullerene, C60. The protonated corannulene H+C20H10was produced on bombarding a mixture of corannulene andpara-hydrogen (p-H2) with electrons during deposition at 3.2 K. During maintenance of the electron-bombarded matrix in darkness the intensities of IR lines of protonated corannulene decreased because of neutralization by electrons that were slowly released from the trapped sites. The observed lines were classified into two groups according to their responses to secondary irradiation at 365 nm. Eighteen lines in one group are assigned to the lowest-energy species among five possible isomers,hub-H+C20H10, and 17 in another group torim-H+C20H10, the species of second lowest energy. Spectral assignments were derived based on a comparison of the observed spectra with those predicted with the B3PW91/6-311++G(2d,2p) method. The observed IR spectrum ofhub-H+C20H10resembles several bands of the Class-A UIR bands.
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DOI：
10.1515/zpch-2015-0598
发表时间：
2015
期刊：
Zeitschrift für Physikalische Chemie
影响因子：
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作者：
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3.3
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DOI：
--
发表时间：
2013
期刊：
影响因子：
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作者：
J. Montillaud;J. Montillaud;J. Montillaud;C. Joblin;C. Joblin;D. Toublanc;D. Toublanc
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D. Toublanc
影响因子：
15
作者：
LePage, V;Keheyan, Y;Snow, TP
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影响因子：
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作者：
M. Bahou;Yu;Yuan‐Pern Lee
通讯作者：
Yuan‐Pern Lee