Investigation of cycloparaphenylenes (CPPs) and their noncovalent ring‐in‐ring and fullerene‐in‐ring complexes by (matrix‐assisted) laser desorption/ionization and density functional theory

Abstract

Cycloparaphenylenes and their complexes in the gas phase: A straightforward method—(MA)LDI—is introduced to characterize CPPs and their host–guest complexes either with another ring size or with different fullerenes. The method enables the detection of thus far unknown complexes. Fragmentation experiments and DFT calculations provide insight into geometries, binding and fragmentation energies as well as charge location of CPP host–guest complexes. Cycloparaphenylenes and their complexes in the gas phase: A straightforward method—(MA)LDI—is introduced to characterize CPPs and their host–guest complexes either with another ring size or with different fullerenes. The method enables the detection of thus far unknown complexes. Fragmentation experiments and DFT calculations provide insight into geometries, binding and fragmentation energies as well as charge location of CPP host–guest complexes.