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| Content Provider | World Health Organization (WHO)-Global Index Medicus |
|---|---|
| Author | Icsel, Ceyda Buyukgungor, Orhan Yilmaz, Veysel T. Kaya, Yunus |
| Description | Country affiliation: Turkey Author Affiliation: Kaya Y ( Department of Chemistry, Faculty of Arts and Sciences, Uludag University, 16059 Bursa, Turkey.) |
| Abstract | A new palladium(II) complex, [Pd(ppeieo)(inap)]·DMSO (ppeieo=(1E,2E)-phenyl-[(1-phenylethyl)imino]-ethanal oxime and inap=isonitrosoacetophenone) has been synthesized and characterized by elemental analysis, UV-vis, IR, NMR. X-ray diffraction analysis of the DMSO solvate of the complex shows that the palladium(II) ion is coordinated in a distorted square-planar geometry by ppeieo and inap, which is formed during the hydrolysis of ppeieo. DFT (B3LYP/LANL2DZ) calculations on the complex have been carried out to correlate geometry and spectroscopic properties such as electronic, vibrational and NMR chemical shifts. The complete vibrational frequency assignments were made and the calculation results were applied to simulate infrared spectra of the title compound which shows good agreement with observed spectra. The calculated HOMO and LUMO energies show that several transitions including the πâ π(*) and charge transfer occur within the molecule. The chemical shifts reasonably correspond to the calculated spectra. |
| ISSN | 13861425 |
| Volume Number | 108 |
| e-ISSN | 18733557 |
| Journal | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy |
| Language | English |
| Publisher | Elsevier |
| Publisher Date | 2013-05-01 |
| Publisher Place | Great Britain (UK) |
| Access Restriction | One Nation One Subscription (ONOS) |
| Subject Keyword | Coordination Complexes Chemistry Imines Magnetic Resonance Spectroscopy Oximes Palladium Crystallography, X-ray Dimethyl Sulfoxide Electrons Ligands Models, Molecular Molecular Conformation Spectrophotometry, Ultraviolet Spectroscopy, Fourier Transform Infrared Vibration Journal Article Research Support, Non-u.s. Gov't Discipline Spectroscopy |
| Content Type | Text |
| Resource Type | Article |
| Subject | Spectroscopy Atomic and Molecular Physics, and Optics Analytical Chemistry Instrumentation |
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