Journal
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
Volume 2022, Issue 10, Pages -Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/ejic.202100998
Keywords
Density functional calculations; Electrochemistry; Ferrocene; Spectroelectrochemistry; Structure elucidation
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Funding
- state of Baden-Wurttemberg through bwHPC
- German Research Foundation (DFG) - Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) [INST 40/467-1]
- Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) [358283783 - SFB 1333]
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The electrochemistry and spectroelectrochemistry of three [ReCl(CO)(3)(N N)] complexes were investigated with N N=3-(pyrid-2-yl)-1,2,4,5-tetrazine [1], 3-(pyrid-2-yl)-4-ferrocenyl-4,5-dihydropyridazine [1H(2)Fc], and 3-(pyrid-2-yl)-4-ferrocenyl-pyridazine [1Fc]. The conjugation of the ligands was found to affect the reduction potentials and intramolecular charge transfers observed in the UV-vis-NIR spectrum, with support from DFT calculations.
The electrochemistry and spectroelectrochemistry (SEC) of the three [ReCl(CO)(3)(N N)], N N=3-(pyrid-2-yl)-1,2,4,5-tetrazine [1], 3-(pyrid-2-yl)-4-ferrocenyl-4,5-dihydropyridazine [1H(2)Fc], and 3-(pyrid-2-yl)-4-ferrocenyl-pyridazine [1Fc], are reported. The ligand's conjugation affects the reduction potentials as well as intramolecular charge transfers observed in the UV-vis-NIR spectrum. The spectroscopic observations were further supported by DFT calculations.
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