All-hydrocarbon,all-conjugated cycloparaphenylene-polycyclic aromatic hydrocarbon host–guest complexes stabilized by CH–πinteractions  

作　　者：Hyejin Kwon Carson.J.Bruns 

机构地区：[1]Paul M.Rady Department of Mechanical Engineering,University of Colorado,Boulder,427 UCB,1111 Engineering Drive,Boulder,CO 80309,USA [2]ATLAS Institute,112518th St.320 UCB,Boulder,CO 80309,USA

出　　处：《Nano Research》2022年第6期5545-5555,共11页纳米研究（英文版）

基　　金：supported by the American Chemical Society Petroleum Research Fund Doctoral New Investigator grant(No.59067-DNI7);Further support was provided by the College of Engineering and Applied Science at the University of Colorado Boulder.This work utilized resources from the University of Colorado Boulder Research Computing Group,which is supported by the National Science Foundation(awards ACI-1532235 and ACI-1532236);the University of Colorado Boulder,and Colorado State University.

摘　　要：Polycyclic aromatic hydrocarbons(PAHs)are promising nanocarbon materials with diverse optoelectronic properties,yet they also pose concerning environmental and health risks.Despite the ubiquity of PAHs in the environment(crude oil,emissions,and biomass),most supermolecules rely on heteroatoms for stability.We discovered and characterized a family of all-hydrocarbon,all-π-conjugated[n]cycloparaphenylene-PAH host–guest complexes.We built a theoretical framework to rapidly select these complexes and predict their stabilities,driven exclusively by CH–πinteractions.More than a dozen complexes were confirmed experimentally and assembled directly from commercially available compounds.This motif offers a versatile way to combine the advantageous properties of organic semiconductors with the rich dynamic,stereochemical,stimulus-responsive,and stressdissipative behavior of host–guest complexes,while creating new opportunities for bespoke PAH separation or remediation materials.

关 键 词：cycloparaphenylenes density functional calculations host−guest systems hydrocarbons POLYCYCLES self-assembly supramolecular chemistry 

分 类 号：O62[理学—有机化学] TB3[理学—化学]