Intramolecular excimer formation in hexakis(pyrenyloxy)cyclotriphosphazene: photophysical properties, crystal structure, and theoretical investigationElectronic supplementary information (ESI) available: Experimental procedures, additional figures and tables, X-ray crystallographic information, computational details in company with references, the optimized Cartesian coordinates and absolute energies of all stationary points. CCDC 965728 for HPCT. For ESI and crystallographic data in CIF or othe

A hexakis(pyrenyloxy)cyclotriphosphazene is synthesized by the reaction of N 3 P 3 Cl 6 with 2-hydroxypyrene, and its excimer emission through intramolecular interactions in solution and in the solid state has been investigated by fluorescence spectroscopy and X-ray crystallography. Thermal and electrochemical properties were investigated. A DFT benchmark study has been performed to evaluate the intramolecular interactions and molecular orbital levels by comparing with the experimental results. A hexakis(pyrenyloxy)cyclotriphosphazene was synthesized by the reaction of N 3 P 3 Cl 6 with 2-hydroxypyrene, and its excimer emission has been investigated.