Compressional Behavior of Naphthalene (C₁₀H₈) and Anthracene (C₁₄H₁₀) up to 50 GPa.

ABSTRACT: In this study, we explored the behavior of naphthalene and anthracene under compression to ∼50 and ∼42 GPa, respectively, using synchrotron single-crystal X-ray diffraction (SCXRD) in diamond anvil cells. Both compounds demonstrate remarkable structural stability, with no phase transitions being observed. The equations of states were obtained with the following parameters: V ₀ = 182.2(2) ų, K ₀ = 8.4(10) GPa, and K' = 5.5(6) for naphthalene, and V ₀ = 238.0(2) ų, K ₀ = 8.4(5) GPa, and K' = 8.0(4) for anthracene. Theoretical calculations correctly reproduce experimental data and enable accurate localization of hydrogen atoms. The analysis of Hirshfeld surfaces for both naphthalene a

SUBMITTER: Zhou W 

PROVIDER: S-EPMC12573047 | biostudies-literature | 2025 Oct

REPOSITORIES: biostudies-literature