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. 2019 Jan 8;24(1):209. doi: 10.3390/molecules24010209

Figure 1.

Figure 1

(a) [n]CPPs and their quinoidal structures; (b) bent effect on the diradical character of benzene [7]; (c) curve (θ°) effect on the diradical character in DR1-4 as a sensitive probe for the quinoidal contribution (this study). The structures DR1, DR2, and DR4 were optimized in C2 symmetry. The structure DR3 was optimized in CS symmetry.