Natural bond orbital analysis shows that these H-bonds can be interpreted with the theory of inter-and intra-molecular hyperconjugation and rehybridization.
自然键轨道分析表明分子内与分子间超共轭和重杂化理论可以解释这些氢键的形成机制。
2
Taking anthracene-porphyrin-anthracene triads as example, we found that the intra-molecular charge transfer process can largely enhance the three-photon absorption cross-section.