Skip to main content
. Author manuscript; available in PMC: 2015 Apr 18.
Published in final edited form as: Faraday Discuss. 2014 Aug 18;171:259–273. doi: 10.1039/c4fd00035h

Fig. 5.

Fig. 5

Theoretical Co K-edge XANES spectra of [CoII(dmgBF2)2(CH3CN)2] calculated for a model obtained using either X-ray diffraction38 (red curve (1)), DFT optimization17 (blue curve (2)), a model with disordered solvent molecules with Co-NSol distances of 2.06 Å (black curve (3)) and 2.00 Å (magenta curve (4)). Curve (5) is the experimental spectrum of the multicomponent photocatalytic system with [Co(dmgBF2)2(CH3CN)2] catalyst measured before the laser pulse. The insert shows the structure of [Co(dmgBF2)2(CH3CN)2]. Grey atoms are C, red - O, blue - N, green - B, yellow - F, magenta - Co. H atoms are omitted for simplicity.