Abstract
The σ-hole triel-bonded and cation–π interactions are constructed in binary C5H5Tr⋯N‐base and ternary Li+⋯C5H5Tr⋯N‐base complexes (TrB, Al, Ga and N‐baseNCH, NH3, NC−). A positive region of electrostatic potential appears near the triel (TrB, Al, Ga) atom in the plane of the aromatic ring after replacing the CH group of benzene by a triel atom. Using MP2/aug-cc-pVTZ method, the solvation effect and cooperativity effect were investigated by MEP, ELF, AIM and SAPT analysis. The results indicate that the cooperative effects between σ-hole triel-bonded and cation–π interactions in Li+⋯C5H5Tr⋯N‐base complexes are positive and will be weakened in water environment.
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.
