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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Nanosecond Time-Resolved Infrared Studies of Visnagin and Khellin Triplets and Radical Ions
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Nanosecond Time-Resolved Infrared Studies of Visnagin and Khellin Triplets and Radical Ions

机译：纳秒时间分辨的Visnagin和Khellin三重态和自由基离子的红外研究

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Time-resolved infrared spectroscopy (TRIR) and density functional theory (DFT) calculations were used to directly observe and assign the vibrational spectra of the triplet states of visnagin and khellin,and to investigate their electron-transfer chemistry.The TRIR spectra of triplet visnagin and triplet khellin,and of their radical cations and anions,were obtained upon 266 nm laser flash photolysis in acetonitrile and in deuterated acetonitrile.The radical cations were observed in the presence of chloranil,and the radical anions were formed in the presence of NaI and KSCN.The TRIR spectra are in good agreement with the calculated vibrational spectra.We did not observe the related neutral radicals by TRIR spectroscopy upon laser flash photolysis (LFP) of khellin in the presence of hydroquinone,but we found evidence for the formation of semiquinone and neutral visnagin radicals upon LFP of visnagin and hydroquinone.
机译：使用时间分辨红外光谱（TRIR）和密度泛函理论（DFT）计算来直接观察和分配六面体和Khellin三重态的振动光谱，并研究它们的电子转移化学性质。三重六面体的TRIR光谱在乙腈和氘代乙腈中进行266 nm激光闪光光解时，得到三氯乙烯和三氯乙烯，以及它们的自由基阳离子和阴离子。在氯腈存在下观察到自由基阳离子，在NaI和NaI存在下形成自由基阴离子KSCN.TRIR光谱与计算出的振动光谱非常吻合。在氢醌存在下，对Khellin进行激光闪光光解（LFP）时，我们没有通过TRIR光谱观察到相关的中性自由基，但我们发现了形成半醌的证据LFP中的visnagin和对苯二酚具有中性的visnagin自由基。

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