TO MECHANOCHEMICAL DIMERIZATION OF ANTHRACENE. CRYSTALLINE PHENANTHRENE UNDER HIGH PRESSURE AND SHEAR CONDITIONS
A. A. Politov, A. P. Chupakhin, V. M. Tapilin, N. N. Bulgakov, A. G. Druganov
Keywords: anthracene, phenanthrene, dimer, electronic structure, mechanochemistry, high pressure, shear, photoluminescence
Pages: 1103-1108
Abstract
Calculations at the density functional theory level show that for phenanthrene, unlike anthracene, stable dimeric structures are absent. A study of the absorption and photoluminescence spectra of crystalline phenanthrene under a pressure to 30 kbar and a simultaneous shear reveals reversible changes in the spectra: a shift of absorption bands and luminescence to the long wave region, a decrease in the intensity, and disappearance of the vibrational structure. Unlike anthracene, the dimerization (and other irreversible transformations) of phenanthrene under the simultaneous effect of high pressure and shear is not observed.
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