IR and UV-NIR Absorption Spectroscopy of Matrix-Isolated C70+ and C70–

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• 作者：Bastian Kern ; Artur Böttcher ; Dmitry Strelnikov
• 刊名：Journal of Physical Chemistry A
• 出版年：2016
• 出版时间：July 28, 2016
• 年：2016
• 卷：120
• 期：29
• 页码：5868-5873
• 全文大小：378K
• 年卷期：0
• ISSN：1520-5215

文摘

C₇₀⁺ ions were mass-selectively deposited into a neon or an argon matrix at 5 K. Like in the case of C₆₀⁺ deposition, soft landing into a rare gas matrix is associated with some charge-exchange processes such that C₇₀⁺ as well as resulting C₇₀ and C₇₀^– can be probed simultaneously. In contrast with a very good coincidence of the experimental and DFT-calculated IR spectra of C₆₀^±/2+, DFT predictions for C₇₀^± IR absorptions strongly deviate from our measurements. A possible explanation for this could be low-lying electronically excited states of C₇₀^± in the vicinity of vibrational energy levels. The corresponding non-Born–Oppenheimer case is likely of significant interest to theory.