UV/Vis Spectroscopy of Copper Formate Clusters: Insight into Metal-Ligand Photochemistry.

ABSTRACT: The electronic structure and photochemistry of copper formate clusters, CuI 2 (HCO2 )3 - and CuII n (HCO2 )2n+1 - , n≤8, are investigated in the gas phase by using UV/Vis spectroscopy in combination with quantum chemical calculations. A clear difference in the spectra of clusters with CuI and CuII copper ions is observed. For the CuI species, transitions between copper d and s/p orbitals are recorded. For stoichiometric CuII formate clusters, the spectra are dominated by copper d-d transitions and charge-transfer excitations from formate to the vacant copper d orbital. Calculations reveal the existence of several energetically low-lying isomers, and the energetic position of the electronic transitions depends strongly on the specific isomer. The oxidation state of the copper centers govern

SUBMITTER: Pascher TF 

PROVIDER: S-EPMC7384192 | biostudies-literature | 2020 Jul

REPOSITORIES: biostudies-literature