Synthesis and high pressure studies of white luminescence host–guest complex nanocrystals based on C₆₀ and p-But-calix[8]arene

Abstract

Host–guest structured nanocrystals consisting of p-But-calix[8]arene and fullerene C60 were fabricated with the facial solution deposition method. The as-prepared host–guest complex nanocrystals are well crystallized in a tetragonal structure, in which the guest C60 and host p-But-calix[8]arene molecules interact with each other via the van der Waals force. The host–guest crystal has a wider band gap compared to that of C60 crystals. The luminescence range of the host–guest structured nanocrystals was widely extended, and its photoluminescence (PL) intensity was highly enhanced by one order of magnitude. High pressure studies on such host–guest nanocrystals were carried out using the diamond anvil cell technique with the associated spectroscopic measurements. Raman and PL spectra show a phase transition occurred on the samples owing to the deformation of fullerene molecules. A PL behavior change was also observed synchronously with the phase transition. The host–guest structure strongly influences the structure and optical behaviors of C60 under pressure.

Energy Band Gap Investigation using First Principle Simulation and Tauc Plot Method of Calixarene and Calixarene-Drug Inclusion Complexes

“…However, the calixarene and PABA band gap value decrease when forming host-guest complexes, indicating an interaction between calixarene as a host sensing the PABA guest. This host-guest complex formation may change the charge distributions, the electronic structures, and the energy gaps of the pure molecules (Liu et al, 2020). Furthermore, the optical band gap of the host-guest complexes decreases as the phenolic units of calixarene increase.…”