Table 2.
13C NMR chemical shifts and IR ν(C ≡ N) values in the solid state for CNMes and its adducts.
Sample | δ13C, ppm | ∆δ13C (free—XB), ppm | ν(C ≡ N), cm–1 | ∆ν(C ≡ N) (XB—free), cm–1 | dXB, Å |
---|---|---|---|---|---|
CNMes | 167.17 | – | 2116 | – | – |
(CNMes)•IPFB | 162.82 | 4.35 | 2126 | 10 | 3.134 |
(CNMes)•1,2-FIB | 162.95 | 4.22 | 2128 | 12 | 3.029 |
(CNMes)2•1,4-FIB | 164.15 | 3.02 | 2125 | 9 | 3.121 |
(CNMes)2•1,3,5-FIB | 164.50/ | 2.67/ | 2118 | 2 | 3.334/ |
161.06 | 6.11 | 3.186 |