Physical Chemistry Division, Department of Materials and Environmental Chemistry, Arrhenius Laboratory, Stockholm University, SE-106 91 Stockholm, Sweden.
J Magn Reson. 2010 May;204(1):99-110. doi: 10.1016/j.jmr.2010.02.007. Epub 2010 Feb 12.
Three two-dimensional (2D) NMR homonuclear correlation techniques invoking double-quantum (2Q) filtration of the central transitions of half-integer spins are evaluated numerically and experimentally. They correlate directly detected single-quantum (1Q) coherences in the t(2) domain with either of 1Q, two-spin 2Q or single-spin multiple-quantum coherence-evolutions in the indirect (t(1)) dimension. We employ experimental (23)Na and (27)Al NMR on sodium sulfite and the natural mineral sillimanite (SiAl(2)O(5)), in conjunction with simulated 2D spectra from pairs of dipolar-recoupled spins-3/2 and 5/2 at different external magnetic fields, to compare the correlation strategies from the viewpoints of 2D spectral resolution, signal sensitivity, implementational aspects and their relative merits for establishing internuclear proximities and quadrupolar tensor orientations.
三种二维（2D）NMR 同核相关技术采用半整数自旋的中央转变的双量子（2Q）过滤进行数值和实验评估。它们直接将在 t（2）域中检测到的单量子（1Q）相干与间接（t（1））维度中的 1Q、双自旋 2Q 或单自旋多量子相干演化相关联。我们在亚硫酸钠和天然矿物硅线石（SiAl（2）O（5））上进行了实验（23）Na 和（27）Al NMR，同时结合来自不同外磁场下的偶极偶合自旋-3/2 和 5/2 对的模拟 2D 谱，从 2D 光谱分辨率、信号灵敏度、实现方面以及它们在建立核间接近度和四极张量方向方面的相对优点的角度比较相关策略。
