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. 2023 Jun 30;13(14):9392–9403. doi: 10.1021/acscatal.3c02515

Figure 2.

Figure 2

Spectroscopic and crystallographic characterization of [K(crypt)+][NpMI·–] (additional details in the SI): (a) 1H NMR spectrum (CD3CN (δ = 1.94 ppm), RT); (b) X-band EPR spectrum (THF, 199 μM, RT; simulated as g = 2.00371, 2 × A(1H) = 15.833 MHz, 2 × A(1H) = 13.357 MHz, 2 × A(1H) = 1.833 MHz, A(14N) = 3.760 MHz); (c) single-crystal XRD structure of [K(crypt)+][NpMI·–]·(THF); thermal ellipsoids shown at 50%; H atoms, THF molecule and disorder in NpMI moiety omitted for clarity; C atoms in gray, N in blue, O in red, K in purple; (d) UV–vis spectrum (MeCN, 504 μM, 1 mm path, RT).