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Fig. 5

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Reaction pathway for formation of c-C3 (CN)2 from c-C3 HCN and -CN. I1 and I2 refer to intermediates 1 and 2, respectively. TS refers to a transition state, and the intermediate type involved in the transition is noted as a subscript. Dashed lines indicate procession across electronic states. All associations are assumed to require intersystem crossing to proceed but are indicated with solid lines for clarity. Relative energies in kcal mol–1.

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