| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1404706 | Journal of Molecular Structure | 2016 | 6 Pages |
•Formation of mono- and dinuclear rhenium(I) chromone compounds.•Simulated IR spectra used to interpret experimental IR spectra.•Crystal structures of octahedral diamagnetic rhenium(I) complexes.•Good comparison between experimental and optimized geometrical parameters.•Low calculated RMSDs between optimized and experimental structures.
Herein, we report the formation and characterization of a novel dinuclear rhenium(I) compound, fac-(Re(CO)3Br)2(μ-chret) (1) [chret = N, N‘-bis(2-amino-3-imino)methylenechromone-1,2-ethane] and a mononuclear metal complex, fac-[Re(CO)3(bzch)Br] (2) [bzch = 2-benzimidazole-4H-chromen-4-one]. The metal complexes were characterized by 1H NMR-, IR-, UV–Vis, melting point and conductivity measurements. The solid-state structures for 1 and 2 were confirmed via single crystal X-ray analysis. X-ray studies of 2 revealed the transformation of the chb diimine into the bzch chelator (in 2). The simulated IR spectra for the respective metal complexes provided insight in the interpretation of their corresponding experimental spectra.
Graphical abstractFigure optionsDownload full-size imageDownload as PowerPoint slide
