Photochemical Hydrogen Evolution at Metal Centers Probed with Hydrated Aluminium Cations, Al⁺ (H₂ O)_n , n=1-10.

ABSTRACT: Hydrated aluminium cations have been investigated as a photochemical model system with up to ten water molecules by UV action spectroscopy in a Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. Intense photodissociation was observed starting at 4.5 eV for two to eight water molecules with loss of atomic hydrogen, molecular hydrogen and water molecules. Quantum chemical calculations for n=2 reveal that solvation shifts the intense 3s-3p excitations of Al⁺ into the investigated photon energy range below 5.5 eV. During the photochemical relaxation, internal conversion from S₁ to T₂ takes place, and photochemical hydrogen formation starts on the T₂ surface, which passes through a conical intersection, changing to T₁ . O

SUBMITTER: Heller J 

PROVIDER: S-EPMC9298212 | biostudies-literature | 2021 Nov

REPOSITORIES: biostudies-literature