Multinuclear NMR and theoretical investigation on interactions between diperoxovanadate complex and 4-picoline-like ligands
| Autor: | Jun Zhang, Shuhui Cai, Pinggui Yi, Zhong Chen, Xianyong Yu, Hao-Wen Huang |
|---|---|
| Rok vydání: | 2010 |
| Předmět: |
Magnetic Resonance Spectroscopy
Molecular Structure Stereochemistry Library science Vanadium Models Theoretical Ligands Atomic and Molecular Physics and Optics Peroxides Analytical Chemistry chemistry.chemical_compound Science research Diperoxovanadate chemistry Picolines Christian ministry Picoline Vanadates Vanadium Compounds Instrumentation Spectroscopy |
| Zdroj: | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 75:83-87 |
| ISSN: | 1386-1425 |
| DOI: | 10.1016/j.saa.2009.09.046 |
| Popis: | To understand the 4-substituting group effects of organic ligands in pyridine ring on the reaction equilibrium, the interactions between a series of 4-picoline-like ligands and [OV(O(2))(2)(D(2)O)](-)/[OV(O(2))(2)(HOD)](-) in solution were explored by the combined use of multinuclear ((1)H, (13)C, and (51)V) magnetic resonance, DOSY, and variable-temperature NMR in 0.15 mol/L NaCl ionic medium for mimicking the physiological condition. Some direct NMR data are given for the first time. The reactivity among the 4-picoline-like ligands is 4-picolineisonicotinateisonicotinamideethyl isonicotinate. The competitive coordination results in the formation of a series of new six-coordinated peroxovanadate species [OV(O(2))(2)L](n-) (L=4-picoline-like ligands, n=1 or 2). The results of density functional calculations provide a reasonable explanation on the relative reactivity of the 4-picoline-like ligands. Solvation effects play an important role in these reactions. |
| Databáze: | OpenAIRE |
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