Extended Data Fig. 4: DFT-calculated cyclization of molecule 2 to form molecule 3, and the cyclization of molecule 3 to form molecule 4. | Nature Synthesis

Extended Data Fig. 4: DFT-calculated cyclization of molecule 2 to form molecule 3, and the cyclization of molecule 3 to form molecule 4.

From: Intelligent synthesis of magnetic nanographenes via chemist-intuited atomic robotic probe

Extended Data Fig. 4: DFT-calculated cyclization of molecule 2 to form molecule 3, and the cyclization of molecule 3 to form molecule 4.The alternative text for this image may have been generated using AI.

DFT-calculated molecular structures of the cyclization process from molecule 2 to 3 (a–e) and 3 to 4 (g–k). (f) The DFT-calculated energy diagram for the cyclization process of molecule 2 to 3 (f), and molecule 3 to 4 (i).

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