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. 2021 Jun 3;7(7):1144–1155. doi: 10.1021/acscentsci.1c00483

Figure 3.

Figure 3

Mechanistic proposal and computational analysis. (a) Proposed mechanism of cyanine phototruncation with the representative conversion of 2 to 3. (b) DFT-computed potential energy surface for conversion of 16 to 20. Computed surfaces showing the results of ground state DFT calculations using M062-X/6-31G(d,p). Relative enthalpies (ΔH) are given in kcal/mol.