NDLI: Theoretical study of hydrolysis of an imine oxime in aqueous solution and crystal structure and spectroscopic characterization of a platinum(II) complex containing the hydrolysis product

Content Provider	Springer Nature Link
Author	Kaya, Yunus Yilmaz, Veysel T.
Copyright Year	2013
Abstract	The hydrolysis of an imine oxime (ppeieoH) in neutral and acidic aqueous solutions was studied using DFT at the B3LYP/6-311G(d,p) level. The rate-determining step at the neutral and acidic aqueous solutions is the nucleophilic attack of the water molecules to the neutral or protonated imine C atom of ppeieoH. The activation energy is much lower in the acidic hydrolysis. The hydrolysis of ppeieoH results in the parent carbonyl oxime (inapH) and amine compounds with ΔG $_{cal}$ values of 8.66 and 11.02 kJ mol$^{−1}$ in the neutral and acidic solutions, respectively. The hydrolysis of ppeieoH was observed experimentally during its reaction with K$_{2}$[PtCl$_{4}$] in an aqueous solution. The reaction yielded [PtCl(inap)(DMSO)], which contains only the hydrolysis product inap. The new platinum(II) complex was characterized spectroscopic techniques and X-ray diffraction. The platinum(II) ion is coordinated by chlorido, carbonyl oxime (inap), and DMSO ligands forming a distorted square-planar arrangement. The molecules of the platinum(II) complex were connected by weak non-conventional C–H···O and C–H···π hydrogen bonds.
Starting Page	231
Ending Page	238
Page Count	8
File Format	PDF
ISSN	10400400
Journal	Structural Chemistry
Volume Number	25
Issue Number	1
e-ISSN	15729001
Language	English
Publisher	Springer US
Publisher Date	2013-04-30
Publisher Place	Boston
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Hydrolysis of imine oxime DFT/B3LYP calculations Carbonyl oxime Platinum(II) complex Crystal structure Computer Applications in Chemistry Physical Chemistry Theoretical and Computational Chemistry
Content Type	Text
Resource Type	Article
Subject	Physical and Theoretical Chemistry Condensed Matter Physics

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