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. 2016 May 19;138(21):6886–6892. doi: 10.1021/jacs.6b03560

Table 1. Experimental and Calculated (in Italics) NMR Parameters of Cations 7, 8, 11, and 12a.

cation δ29Si(Si1) δ29Si(Si2) δ29Si(Si3)
8b 108.9, 1J(SiH) = 43 Hz –120.9 –6.4
8c 105.9, 1J(SiH) = 40 Hzf –124.8 –5.0
8(PhCl)c 103.4 –122.0 –5.7
7c 44.8 –33.3 –3.7
11d 117.3, 1J(SiH) = 45 Hz   0.4
11e 117.6, 1J(SiH) = 45 Hz   0.9
11c 120.8, 1J(SiH) = 42 Hzf   –3.4
12c   –93 –11
a

For the assignments, see Schemes 3 and 4.

b

At −30 °C in C6D5Cl.

c

Calculated at GIAO/M06-L/6-311G(2d,p)//M06-2X/6-311+G(d,p).

d

At −40 °C in C6D5Cl.

e

At −80 °C in CD2Cl2.

f

Calculated at B3LYP/IGLOIII (Si,C,H), 6-311+G(d,p) (Ge).