Kinetics and DFT studies on the reaction of copper(II) complexes and H2O2.
作者： Shigenori Nagatomo , Teizo Kitagawa , Christopher J. Cramer , Shinobu Itoh , Takao Osako
DOI: 10.1007/S00775-005-0005-5
关键词:
摘要: Copper(II) complexes supported by bulky tridentate ligands L1H (N,N-bis(2-quinolylmethyl)-2-phenylethylamine) and L1Ph (N,N-bis(2-quinolylmethyl)-2,2-diphenylethylamine) have been prepared their crystal structures as well some physicochemical properties explored. Each complex exhibits a square pyramidal structure containing coordinated solvent molecule at an equatorial position weakly counter anion (or water) axial position. The copper(II) reacted readily with H2O2 low temperature to give mononuclear hydroperoxo complexes. Kinetics DFT studies suggested that, in the initial stage of reaction, deprotonated hydrogen peroxide attacks cupric ion, presumably position, retaining (H R ·S). H ·S then loses tetragonal copper(II)-hydroperoxo ), which –OOH group may occupy copper(II)–hydroperoxo relatively high O–O bond stretching vibration 900 cm−1 compared other previously reported examples.
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