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Reactivity of 2,6-dichloropurine ribonucleoside studied by Cl-35 NQR spectroscopy

机译:Cl-35 NQR光谱法研究2,6-二氯嘌呤核糖核苷的反应性

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摘要

2,6-Dichloropurine ribonucleoside is a precursor in the potential synthesis of anticancer and antiviral drugs. Cl-35 nuclear quadrupole resonance (NQR) studies on electronic structure and the character of C-Cl bonds may provide a valuable information about the difference in reactivity of chlorine atoms present in this compound. In this work Cl-35 NQR frequencies, asymmetry parameters and double-bond character for both C-Cl bonds have been determined experimentally. These parameters were then compared with the corresponding theoretical values obtained by means of the density functional theory.
机译:2,6-二氯嘌呤核糖核苷是抗癌和抗病毒药物潜在合成的前体。关于电子结构和C-Cl键特征的Cl-35核四极共振(NQR)研究可能提供有关该化合物中存在的氯原子反应性差异的有价值的信息。在这项工作中,已通过实验确定了两个C-Cl键的Cl-35 NQR频率,不对称参数和双键特征。然后将这些参数与借助密度泛函理论获得的相应理论值进行比较。

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