分子内力
化学
蒽
质子化
光化学
激发
离解(化学)
非谐性
光谱学
分子物理学
化学物理
立体化学
物理化学
物理
离子
有机化学
量子力学
作者
Benjamin A. Laws,Olha Krechkivska,Klaas Nauta,Scott H. Kable,Timothy W. Schmidt
摘要
Excitation spectra of protonated and deuteronated anthracene are obtained by triple-resonance dissociation spectroscopy. Very cold cations, protonated/deuteronated exclusively at the 9-position, are generated from two-colour two-photon threshold ionisation of 9-dihydroanthracenyl radicals (C14H11). The excitation spectra reveal rich structure, not resolved in previous studies, that is assigned based on anharmonic and Herzberg-Teller coupling calculations. This work reveals that the excitation of protonated anthracene induces a symmetry-breaking intramolecular charge-transfer process along a Marcus-Hush coordinate, where the positively charged hole hops from the central bridging sp2 carbon, onto one of the aromatic rings. Signatures of this charge-transfer event are observed in the excitation spectrum, through active Herzberg-Teller progressions.
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