Abstract
The supramolecular donor−acceptor−donor (D−A−D) system were formed between the tweezer and C60 with strong intermolecular charge transfer interactions, which enhance the two-photon absorption (TPA) cross-section. Here, we would use density functional theory method to investigate three effects of molecular structures on the intermolecular interactions and the second order NLO properties of supramolecular complexes, including: (1) the effects of N atom substitution in tweezer (2) the effects of four extra benzene rings in tweezer (3) the effect of fullerene size. It was found that the substitution of N atoms and the addition of the four extra benzene rings to tweezer weakened the intermolecule interactions between fullerene and tweezer, suggesting that they did not enhance the electron-giving capacities of tweezers. While the fullerenes of larger size can form the stronger intermolecule interaction with tweezers.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
