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Kinetics and DFT studies on the reaction of copper(II) complexes and H2O2

Content Provider	Springer Nature Link
Author	Osako, Takao Nagatomo, Shigeri Kitagawa, Teizo Cramer, Christopher J. Itoh, Shibu
Copyright Year	2005
Abstract	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 and their crystal structures as well as some physicochemical properties have been explored. Each complex exhibits a square pyramidal structure containing a coordinated solvent molecule at an equatorial position and a weakly coordinated counter anion (or water) at an axial position. The copper(II) complexes reacted readily with H2O2 at a low temperature to give mononuclear hydroperoxo copper(II) complexes. Kinetics and DFT studies have suggested that, in the initial stage of the reaction, deprotonated hydrogen peroxide attacks the cupric ion, presumably at the axial position, to give a hydroperoxo copper(II) complex retaining the coordinated solvent molecule (H R ·S). H R ·S then loses the solvent to give a tetragonal copper(II)-hydroperoxo complex (H R ), in which the –OOH group may occupy an equatorial position. The copper(II)–hydroperoxo complex H R exhibits a relatively high O–O bond stretching vibration at 900 cm−1 compared to other previously reported examples.
Starting Page	581
Ending Page	590
Page Count	10
File Format	PDF
ISSN	09498257
Journal	JBIC Journal of Biological Inorganic Chemistry
Volume Number	10
Issue Number	5
e-ISSN	14321327
Language	English
Publisher	Springer-Verlag
Publisher Date	2005-08-16
Publisher Place	Berlin, Heidelberg
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Copper(II) complex Bis(quinolylmethyl)amine tridentate ligand Hydroperoxo copper(II) complex DFT calculation
Content Type	Text
Resource Type	Article
Subject	Biochemistry Inorganic Chemistry

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