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. 2020 Jun 10;11:2921. doi: 10.1038/s41467-020-16748-x

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