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. Author manuscript; available in PMC: 2018 Feb 27.
Published in final edited form as: Acc Chem Res. 2017 Mar 29;50(4):1105–1113. doi: 10.1021/acs.accounts.7b00082

Figure 3.

Figure 3

3D ultrafast MAS technique enables the measurement of proton CSAs. (A) Pulse sequence used for the 3D DQ/CSA/SQ correlation experiment. Broadband BABA sequence is used for DQ excitation and reconversion, while a composite-180° (namely, 270°0–90°180) based symmetry sequence R1887 is used for recoupling proton CSA. (B) Molecular structure of ibuprofen and 2D DQ/SQ (F1/F3) chemical shift correlation spectrum extracted from the 3D spectrum. (C) 2D CSA/DQ correlation spectrum extracted from the 3D spectrum of ibuprofen. The CSA slices at the DQ frequency of 19.7 ppm and that at 13.4 ppm are shown on the right. Experimental line shapes are indicated in black, while the simulated ones are indicated in red and blue. Reprinted from ref 35, with the permission of AIP Publishing.