Crystal structure and Raman spectra of molecular complex {Cd(Et2dtc)}2·DABCO ·C60·(DABCO)2 at high pressure

Аннотация

The crystal structure of the molecular donor-acceptor complex {Cd(Et2dtc)}₂·DABCO ·C₆₀·(DABCO)₂ (where dtc is dithiocarbamate, DABCO is diazabicyclooctane) was studied by X-ray diffraction (XRD) at high pressure using the diamond anvil cell (DAC) technique. The pressure dependence of lattice parameters is smooth and monotonous, the bulk modulus and its derivative B₀ = 7.94 GPa and B^t = 9.65 are close to those of pristine C₆₀. Raman spectra of the complex measured at λ_exc = 532 nm showed a peculiarity in the pressure dependence of A_g(1), A_g(2), H_g(1) and H_g(7) modes of the C₆₀ molecule near 2 GPa. This peculiarity relates to pressure-assisted photopolymerization in the fullerene layers which is suppressed in Raman measurements at λ_exc = 785 nm showing smooth pressure behavior of phonon modes.