Adsorption of Helium and Hydrogen on Triphenylene and 1,3,5-Triphenylbenzene.

ABSTRACT: The adsorption of helium or hydrogen on cationic triphenylene (TPL, C₁₈H₁₂), a planar polycyclic aromatic hydrocarbon (PAH) molecule, and of helium on cationic 1,3,5-triphenylbenzene (TPB, C₂₄H₁₈), a propeller-shaped PAH, is studied by a combination of high-resolution mass spectrometry and classical and quantum computational methods. Mass spectra indicate that He_nTPL⁺ complexes are particularly stable if n = 2 or 6, in good agreement with the quantum calculations that show that for these sizes, the helium atoms are strongly localized on either side of the central carbon ring for n = 2 and on either side of the three outer rings for n = 6. Theory suggests that He₁₄TPL⁺ is also

SUBMITTER: Bergmeister S 

PROVIDER: S-EPMC9370105 | biostudies-literature | 2022 Aug

REPOSITORIES: biostudies-literature