Saren, Dama and Bodensteiner, Michael and Manna, Subal Chandra (2024) Dinuclear cadmium(II) complexes with distorted octahedral/monocapped trigonal prism coordination geometries: synthesis, crystal structure, DFT/ TD-DFT calculation and photocatalytic degradation of methylene blue. POLYHEDRON, 254: 116936. ISSN 0277-5387, 1873-3719
Full text not available from this repository. (Request a copy)Abstract
Two Cd(II) complexes [Cd2(L1)2(dca)(NO3)] (1) and [Cd2(L2)2(SCN)(NO3)] (2) (HL1 = 2-methoxy-6-[(2-phenylamino-ethylimino)-methyl]-phenol; and HL2 = 2-[(2-ethylamino-ethylimino)-methyl]-6-methoxy-phenol), have been synthesized and characterized by single crystal structure analysis, IR and mass spectroscopic studies. Both the complexes 1 and 2 possess a triclinic crystal system with space group P 1. In complex 1, geometry around one metal centre is distorted octahedral and other centre is distorted monocapped trigonal prism, whereas in complex 2, both the metal centres possess distorted octahedral geometries. Strong N-H & sdot;& sdot;& sdot;O and weak aromatic C-H & sdot;& sdot;center dot O hydrogen bonding interactions in 1 and strong N-H & sdot;& sdot;& sdot;O and N-H & sdot;& sdot;& sdot;S hydrogen bonding in 2 results 1D and 2D supramolecular structures, respectively. Experimentally determined electronic spectral data have been compared with the calculated data obtained by DFT and TD-DFT calculation. Photocatalytic abilities of 1 and 2 have been examined by using spectroscopic technique and found that in presence of UV light both the complexes catalytically decomposed methylene blue by 54.0 % and 50.3 %, respectively.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | COPPER(II) COMPLEXES; CU(II) COMPLEXES; SCHIFF-BASES; POLYMERS; FLUORESCENCE; CD(II); ENERGIES; LIGANDS; SPECTRA; BINDING; Cd(II) complexes; Crystal structure; DFT/TD-DFT calculation; Photocatalyst |
| Subjects: | 500 Science > 540 Chemistry & allied sciences 600 Technology > 600 Technology (Applied sciences) |
| Divisions: | Chemistry and Pharmacy > Central Analytical Services |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 09 Dec 2025 10:43 |
| Last Modified: | 09 Dec 2025 10:43 |
| URI: | https://pred.uni-regensburg.de/id/eprint/64542 |
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