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中文摘要：
为探讨有机配体上取代基团对反应平衡的影响，在模拟生理条件下（0．15mol／L NaCl溶液），应用多核（^1H、^13C和^51V）多维（D0sY）以及变温NMR技术研究双过氧钒配合物[OV（O2）2（D2O）]^-／[OV（O2）2（HOD）]^-（简写为dpV）与3-取代吡啶的相互作用，并首次报道了一些物种的NMR化学位移．dpV与有机配体的反应性从强到弱的顺序为：吡啶〉烟酸根〉烟酸甲酰胺≈烟酸甲酯，这说明吡啶环上取代基影响反应平衡．竞争配位导致一系列新的6配位的过氧钒物种生成．密度泛函计算结果合理地解释了实验结果，并表明溶剂化效应在反应中起重要作用．
英文摘要：
To understand the substituting group effects of organic ligands on the reaction equilibrium, the interactions between a diperoxovanadate complex [OV（O2）2（D2O）]^-/[OV（O2）2（HOD）]^- （abbr. dpV） and a series of 3-substituted pyridines in solution were explored using multinuclear （^1H, ^13C, and ^51V） magnetic resonance, DOSY, and variable temperature NMR in 0.15 mol/L NaCl ionic medium for mimicking the physiological condition. Some direct NMR data were given for the first time. The reactivity among the 3-substituted pyridines towards dpV takes the order of pyridine〉nicotinate〉N-methyl nicotinamide≈ methyl nicotinate. The competitive coordination results in the formation of a series of new six-coordinated peroxovanadate species [OV（O2）2L]^n- （L = 3-substituted pyridines, n= 1 or 2）. The results of density functional calculations provided a reasonable explanation of the relative reactivity of the 3-substituted pyridines. Solvation effects play an important role in these reactions.
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