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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Raman spectroscopic study of the tautomeric composition of adenine in water
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Raman spectroscopic study of the tautomeric composition of adenine in water

机译：拉曼光谱研究水中腺嘌呤的互变异构体组成

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摘要

An experimental and theoretical study of the tautomeric composition of adenine (Ade) in water using Raman spectroscopy is reported. Experimental resonance Raman spectra of adenine at excitation wavelengths of 200, 218, and 266 nm were compared with quantum-mechanical calculations of N_9H- and N_7H-adenine tautomers and their cations. Both theoretical and experimental studies of nonresonance Raman spectra (457 nm excitation) of adenine were also performed for comparison. A satisfactory agreement of the calculated results with the experimental data was obtained. The Raman spectra are interpreted, and the basic regularities of the Raman intensity distribution are explained. On the basis of the analysis performed, the tautomeric composition of adenine in water is revealed. It is shown that the Ade-N _9,N_1H~+ cation is the predominant form and that some neutral forms of Ade-N_9H and Ade-N_7H tautomers exist in water at pH 3.
机译：报道了使用拉曼光谱对水中的腺嘌呤（Ade）的互变异构体组成进行实验和理论研究。将腺嘌呤在200、218和266 nm激发波长处的实验共振拉曼光谱与N_9H-和N_7H-腺嘌呤互变异构体及其阳离子的量子力学计算进行了比较。还进行了腺嘌呤的非共振拉曼光谱（457 nm激发）的理论和实验研究，以进行比较。计算结果与实验数据吻合良好。解释拉曼光谱，并解释拉曼强度分布的基本规律。根据进行的分析，揭示了水中腺嘌呤的互变异构组成。结果表明，Ade-N _9，N_1H〜+阳离子为主要形式，在pH 3的水中存在一些中性形式的Ade-N_9H和Ade-N_7H互变异构体。

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