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Updated: May 4, 2026
Preparation of Polyoxometalate-based Photo-responsive Membranes for the Photo-activation of Manganese Oxide Catalysts
Published on: August 7, 2018
Elucidating the 3d electronic configuration in manganese phthalocyanine
Iulia Emilia Brumboiu1, Roberta Totani, Monica de Simone
1Department of Physics and Astronomy, Uppsala University , Box-516, SE-75120 Uppsala, Sweden.
Abstract:
To shed light on the metal 3d electronic structure of manganese phthalocyanine, so far controversial, we performed photoelectron measurements both in the gas phase and as thin film. With the purpose of explaining the experimental results,three different electronic configurations close in energy to one another were studied by means of density functional theory. The comparison between the calculated valence band density of states and the measured spectra revealed that in the gas phase the molecules exhibit a mixed electronic configuration, while in the thin film, manganese phthalocyanine finds itself in the theoretically computed ground state, namely, the b1(2g)e3(g)a1(1g)b0(1g) electronic configuration.
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