Fig. 4: Control experiments and theoretical calculations on the formation of the nitrene intermediate; calculations were performed at the SMD(DCM)-(U)M06-2X-D3/def2-TZVP//(U)M06-2X-D3/def2-SVP level of theory. | Nature Communications

Fig. 4: Control experiments and theoretical calculations on the formation of the nitrene intermediate; calculations were performed at the SMD(DCM)-(U)M06-2X-D3/def2-TZVP//(U)M06-2X-D3/def2-SVP level of theory.

From: A combined experimental and theoretical study on the reactivity of nitrenes and nitrene radical anions

Fig. 4

a Energy surface of the reaction of triplet nitrene and nitrene radical anion. Gibbs energies are given in kcal mol−1. b Reaction with deuterated α-methyl styrene. c Reaction with α-ethyl styrene. d Photocatalytic reaction with β-methyl styrene. e Photochemical reaction with β-methyl styrene.

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