title: Spectroscopic and theoretical study on the interaction between diperoxovanadate and oxazole.
abstract: Detailed investigations were carried out to explore the interaction systems of NH(4)VO(3)/H(2)O(2)/oxazole in aqueous solution under physiological conditions by a combined use of multinuclear NMR ((1)H, (13)C, (14)N and (51)V), diffusion ordered spectroscopy (DOSY), variable temperature NMR, electrospray ionization mass spectrometry (ESI-MS), spin-lattice relaxation and density functional calculations. The results indicated the formation of a new peroxovanadate species [OV(O(2))(2)(oxazole)](-) with oxazole coordinating to vanadium through nitrogen atom. The solution structure of the new species was predicted from theoretical calculations.
authors.affiliation: Department of Chemistry and Physics, Xiamen University, Xiamen, Fujian 361005, China.
authors.forename: Birong
authors.initials: B
authors.lastname: Zeng
authors.forename: Xiongbin
authors.initials: X
authors.lastname: Zhu
authors.forename: Xianyong
authors.initials: X
authors.lastname: Yu
authors.forename: Shuhui
authors.initials: S
authors.lastname: Cai
authors.forename: Zhong
authors.initials: Z
authors.lastname: Chen
mesh_terms: D002247:Carbon Isotopes; D006861:Hydrogen Peroxide / Q000737:chemistry; D009682:Magnetic Resonance Spectroscopy; D008968:Molecular Conformation; D009587:Nitrogen Isotopes; D010080:Oxazoles / Q000737:chemistry*; D010545:Peroxides / Q000737:chemistry*; D011522:Protons; D021241:Spectrometry, Mass, Electrospray Ionization; D013696:Temperature; D014638:Vanadates / Q000737:chemistry*
chemical_list: D002247:Carbon Isotopes; D009587:Nitrogen Isotopes; D010080:Oxazoles; D010545:Peroxides; D011522:Protons; C091767:diperoxovanadate; D014638:Vanadates; D006861:Hydrogen Peroxide