Synthesis and DFT calculations of oxido and phenylimido-rhenium(V) complexes incorporating the N,O donor ligand 2-[(2-hydroxyethylimino)methyl]phenol |
| |
| Authors: | Pinki Saha Jnan Prakash Naskar Arnab Bhattacharya Rakesh Ganguly Baptu Saha |
| |
| Affiliation: | 1. Department of Chemistry, Tripura University, Tripura, India;2. Department of Chemistry, Inorganic Chemistry Section, Jadavpur University, Kolkata, India;3. Division of Chemistry &4. Biological Chemistry, SPMS-CBC-01-18D, Nanyang Technological University, Singapore |
| |
| Abstract: | The reactions of equimolar amounts of trans-[ReOC13(PPh3)2] or trans-[Re(NPh)(PPh3)2Cl3] with a Schiff base formed by condensation of 2-hydroxy-4-methoxybenzaldehyde and ethanolamine (H2L) result in the formation of cis-[ReO(HL)PPh3Cl2] (1a) and trans-[Re(NPh)(HL)(PPh3)Cl2] (2b), respectively, in good yields. 1a and 2b have been characterized by a range of spectroscopic and analytical techniques. The X-ray crystal structures of 1a and 2b reveal that 1a is an octahedral cis-Cl,Cl oxorhenium(V) complex, while 2b is a trans-Cl,Cl phenylimidorhenium(V) complex. The complexes are weakly emissive at room temperature with quantum yields of 10?4. Density functional theory calculations of the electronic properties of the complexes were performed and are in agreement with the experimental results. The complexes display quasi-reversible Re(V)/Re(VI) redox couples in acetonitrile. There is reasonable agreement between the experimental and calculated redox potentials of 1a and 2b. |
| |
| Keywords: | Rhenium Schiff-base ligand fluorescence electrochemistry density functional theory |
|
|
