Fig. 6. (A) Optimized structures of HMN and the co-regulation of response emission by PET and ICT mechanisms. (B) Frontier molecular orbital energy of NBD-OMe, HBTMC1, and HBTMC1-SH at the excited state. Calculations were performed using DFT with the B3LYP exchange functional employing 6-31G* basis sets using Gaussian 09 programs.
