| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1409598 | Journal of Molecular Structure | 2012 | 10 Pages |
Abstract
⺠Quantum calculations of geometry, IR, 1H NMR and NBO of ligands and their Pd(II). ⺠The optimized structures of the ligands confirmed the intramolecular H-bond. ⺠The DFT calculated spectral data showed good agreement with experimental data. ⺠The NBO confirmed the two bonds Pd-S and Pd-N1 (donation of electron from N to Pd).
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Authors
Mohamed H. Abdel-Rhman, Mohamed M. Hassanian, Ahmed A. El-Asmy,