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Intramolecular hydrogen-atom tunneling in matrix-isolated heterocyclic compounds: 2-thiouracil and its analogues
Physical Chemistry Chemical Physics ( IF 2.9 ) Pub Date : 2024-08-27 , DOI: 10.1039/d4cp02799j Hanna Rostkowska 1 , Leszek Lapinski 1 , Maciej J Nowak 1
Physical Chemistry Chemical Physics ( IF 2.9 ) Pub Date : 2024-08-27 , DOI: 10.1039/d4cp02799j Hanna Rostkowska 1 , Leszek Lapinski 1 , Maciej J Nowak 1
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Hydrogen-atom tunneling leading to spontaneous tautomeric conversion in monomeric heterocyclic molecules without intramolecular hydrogen bonds has been experimentally detected for the first time. For monomers of 2-thiouracil, 6-aza-2-thiouracil and 1-methyl-2-thiouracil isolated in low-temperature matrices, higher-energy thiol forms were generated upon UV (λ = 305 nm) excitation of the most stable thione tautomers. When the matrices were subsequently kept in the dark and at low temperature, hydrogen-atom tunneling occurred, leading to the thiol → thione conversion. During this process, the photoproduced thiol form spontaneously converted into the lowest energy thione tautomer.
中文翻译：
基质隔离杂环化合物中的分子内氢原子隧道效应：2-硫氧嘧啶及其类似物
首次通过实验检测到氢原子隧道效应导致没有分子内氢键的单体杂环分子自发互变异构转化。对于在低温基质中分离的 2-硫氧嘧啶、6-氮杂-2-硫氧嘧啶和 1-甲基-2-硫氧嘧啶单体，在最稳定的硫酮的 UV（ λ = 305 nm）激发下产生更高能量的硫醇形式互变异构体。当基质随后被保存在黑暗和低温下时，发生氢原子隧道效应，导致硫醇→硫酮转化。在此过程中，光产生的硫醇形式自发转化为能量最低的硫酮互变异构体。
更新日期：2024-08-27
中文翻译：
基质隔离杂环化合物中的分子内氢原子隧道效应：2-硫氧嘧啶及其类似物
首次通过实验检测到氢原子隧道效应导致没有分子内氢键的单体杂环分子自发互变异构转化。对于在低温基质中分离的 2-硫氧嘧啶、6-氮杂-2-硫氧嘧啶和 1-甲基-2-硫氧嘧啶单体，在最稳定的硫酮的 UV（ λ = 305 nm）激发下产生更高能量的硫醇形式互变异构体。当基质随后被保存在黑暗和低温下时，发生氢原子隧道效应，导致硫醇→硫酮转化。在此过程中，光产生的硫醇形式自发转化为能量最低的硫酮互变异构体。
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