Saurí Josep, Nolis Pau, Parella Teodor
Servei de Ressonància Magnètica Nuclear, Facultat de Ciències, Universitat Autònoma de Barcelona, Bellaterra, E-08193, Barcelona, Catalonia, Spain.
Magn Reson Chem. 2015 Jun;53(6):427-32. doi: 10.1002/mrc.4239. Epub 2015 Apr 17.
The presence of a highly abundant passive nucleus (Z = 19F or 31P) allows the simultaneous determination of the magnitude and the sign of up to three different heteronuclear coupling constants from each individual cross-peak observed in a 2D 1H-X selHSQMBC spectrum. Whereas J(HZ) and J(XZ) coupling constants are measured from E.COSY multiplet patterns, J(XH) is independently extracted from the complementary IPAP pattern generated along the detected F2 dimension. The incorporation of an extended TOCSY transfer allows the extraction of a complete set of all these heteronuclear coupling constants and their signs for an entire 1H subspin system. 1H-X/1H-Y time-shared versions are also proposed for the simultaneous measurement of five different couplings (J(XH), J(YH), J(XZ), J(YZ), and J(ZH)) for multiple signals in a single NMR experiment.
存在一个丰度很高的惰性核（Z = 19F或31P）时，从二维1H-X选择性HSQMBC谱中观察到的每个单独交叉峰，可以同时测定多达三个不同异核耦合常数的大小和符号。J(HZ)和J(XZ)耦合常数是从E.COSY多重峰模式测量的，而J(XH)是从沿检测到的F2维度生成的互补IPAP模式中独立提取的。加入扩展的TOCSY转移，可提取整个1H子自旋系统的所有这些异核耦合常数及其符号的完整集合。还提出了1H-X/1H-Y分时版本，用于在单个NMR实验中同时测量多个信号的五个不同耦合（J(XH)、J(YH)、J(XZ)、J(YZ)和J(ZH)）。
