Figure - PMC

Skip to main content

View full-text article in PMC

. Author manuscript; available in PMC: 2008 Oct 26.

Published in final edited form as: J Org Chem. 2007 Oct 2;72(22):8383–8393. doi: 10.1021/jo701502y

Figure 4a. Protonation of 7–9 in FSO₃H/SO₂ClF

Figure 4b. Experimental and GIAO/B3LYP/6-31G(d)-derived NMR chemical shifts for 7H⁺, and Δδ¹³C values (in parentheses) relative to those for the parent 7 (red circles are roughly proportional to magnitude of Δδ¹³C values, threshold 5 ppm; a and b designations refer to interchangeable assignments; nd = not detected), and changes in the NPA-derived charges (Δq) for 7H⁺(dark circles are roughly proportional to C Δq and white circle to S Δq, threshold was set to 0.030).

Figure 4a. Protonation of 7–9 in FSO₃H/SO₂ClF

Figure 4b. Experimental and GIAO/B3LYP/6-31G(d)-derived NMR chemical shifts for 7H⁺, and Δδ¹³C values (in parentheses) relative to those for the parent 7 (red circles are roughly proportional to magnitude of Δδ¹³C values, threshold 5 ppm; a and b designations refer to interchangeable assignments; nd = not detected), and changes in the NPA-derived charges (Δq) for 7H⁺(dark circles are roughly proportional to C Δq and white circle to S Δq, threshold was set to 0.030).