Correlations of 95Mo NMR chemical shifts with ligand basicity in substituted pyridine pentacarbonylmolybdenum(O) complexes |
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| Institution: | 1. Wuya College of Innovation, Shenyang Pharmaceutical University, Shenyang 110016, Liaoning, PR China;2. Key Laboratory of Computational Chemistry-Based Natural Antitumor Drug Research & Development, Shenyang 110016, Liaoning, PR China;3. Department of Chemistry and Life Science, School of Advanced Engineering, Kogakuin University, 2665-1, Nakanomachi, Hachioji, Tokyo 192-0015, Japan;4. Nippi Research Institute of Biomatrix, Toride, Ibaraki 302-0017, Japan;1. Department of Surgery, University of Arizona College of Medicine, Tucson;2. Department of Pathology, University of Arizona College of Medicine, Tucson;3. Medical Imaging (Nuclear Medicine), University of Arizona College of Medicine, Tucson;4. Department of Pediatrics, University of Arizona College of Medicine, Tucson |
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| Abstract: | Molybdenum-95 NMR chemical shifts are reported for a series of Mo(O) compounds of the type Mo(CO)5L (L = pyridine derivatives). A good correlation is found between the δ(95Mo) values and the Hammett sigma constant of the pyridine substituent or the pKa of the substituted pyridine. The chemical shift values, which range from −1366 ppm (3-CN, σ = 0.62, pKa = 1.35) to −1433 ppm (4-NMe2, σ = −0.83, pKa = 9.61), directly reflect the electronic properties of the pyridine derivatives even though the substituent is four or five bonds away from the molybdenum atom. |
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