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Abstract
To understand the coordination modes and the solution structure of 5-amino-1,10-phenanthroline (5-NH2-phen), the coordination reaction between peroxovanadium(V) complex [OV(O2)2(D2O)]−/[OV(O2)2(HOD)]− and 5-NH2-phen has been investigated by multinuclear (1H, 13C, and 51V) magnetic resonance with variable temperature NMR, COSY, and HSQC. The experimental results indicate a pair of isomers in solution, which are attributed to different coordination modes between vanadium and 5-NH2-phen. The solution structures of these newly formed peroxovanadate species were proposed based on experimental NMR information and confirmed by theoretical calculations. Moreover, the results of density functional calculations indicate that solvation plays an important role in these interactions.
Funding
This work was supported by Hunan Provincial Natural Science Foundation of China [14JJ7049]; Scientific Research Fund of Hunan Provincial Education Department [12K101]; The Opening Project of State Key Laboratory of Physical Chemistry of Solid Surfaces, Xiamen University [grant number 201309]; and Aid program for Science and Technology Innovative Research Team in Higher Educational Institutions of Hunan Province.
