Proof of concept: π- electron reorganization induced by skeletal reconstruction. (IMAGE)

Science China Press

Proof of concept: π- electron reorganization induced by skeletal reconstruction.

Caption

Figure 2. Proof of concept: π- electron reorganization induced by skeletal reconstruction. (a) Skeletal reconstruction of pyrene. (b) Skeletal reconstruction of coronene. (c) Skeletal reconstruction of ovalene. The NICS value, 2D-NICS and S1 → S0 energy level calculations of molecules were calculated at the B3LYP/6 - 31G(d) level of theory.

Credit

©Science China Press

Usage Restrictions

Use with credit.

License

Original content

Disclaimer: AAAS and EurekAlert! are not responsible for the accuracy of news releases posted to EurekAlert! by contributing institutions or for the use of any information through the EurekAlert system.