核磁共振残留偶极耦合参数在有机分子结构鉴定中的应用

Structural elucidation of organic molecule from residual dipolar couplings

残留偶极耦合(residual dipolar coupling,RDC)作为核磁共振各向异性参数在解析有机分子构型及优势构象等方面的应用具有强有力的优势,它能反映分子中原子在磁场中的空间距离与角度信息,实现分子三维空间的构建.本文对残留偶极耦合在有机分子结构鉴定方面的进展进行综述,详细总结了测定RDC的定向介质和检测分析方法,并利用实例展示RDC在天然产物、合成药物、有机反应中间体或络合物。

Residual dipolar coupling（RDC） has recently become increasingly important in organic structural determination due to their unique information content. This review provides a brief overview of the basic principle and general strategy in the application of RDC in the structure elucidation of organic molecule. The availability of various alignment media and pulse sequences were also discribed. In addition, the applications of RDCs for the constitution,configuration and conformation determination of natural or synthetic molecules were summarized to exemplify the practical application of the technique in recent years. Finally, the challenges and perspectives for future applications were also presented.