JOURNAL OF KUFA FOR CHEMICAL SCIENCES

A number of topological parameters of the electron density of bonding interactions in the Picolyl N
Heterocyclic Carbene Triruthenium carbonyl cluster [Ru3(μ-H)2(μ3-κ3C2,NHCpyCH2ImMe)(CO)8] has been
calculated and interpreted under the perception of the Quantum theory atoms in molecules (QTAIM). These
results have allowed a comparison between topological properties of different atom-atom interactions. The
QTAIM theory recognizes the existence of a bond path in only one of the Ru(1)-Ru(3) edges. Consequently,
an interaction of 5c-6e type is proposed to exist in the Ru3H2 core. The three atoms N-C-C bridge that spans
the Ru(1)-Ru(3) edge is not as efficient as bridges comprising one atom, such as hydride in order to delocalize
the electronic density of the bridged metal atoms. All topological parameters calculated for the three existing
Ru-C bonds between the metal atoms and the NHC ligand are similar, and they confirm that these
interactions are pure σ bond. The analysis of the topological parameters of the Picolyl and NHC ligands
bonds confirms the existence of π-electron delocalization within the six-membered ring for Picolyl ligand and
hindered π-electron delocalization within the five-membered ring of NHC ligand with some double-bond
character in the interaction of the carbine C atom with the adjacent N atoms.

Synthesis of Ni/Al- layered double hydroxides intercalated with Salicylate Anion to obtaining nanohybrid
compounds. The ion exchange method was used with molar ratio Ni/Al = 4. The resulted material was
characterized by Fourier transform infrared spectra (FT-IR),XRD (X-ray diffraction),and the release profiles
of the guest anion to hydrogen phosphate and sulphate aqueous media. The accumulated release in to
hydrogen phosphate more than sulphate. Release kinetics of salicylate anion has been evaluated with various
models such as zeroth order, first order and pseudo- second order. It is observed that the release profiles of
salicylate Anion were governed by pseudo second order.

Since every taxonomist is aware of the fact that morphological similarities and differences of plants does not
always indicate close relationship or often belongs to different taxa. High-performance liquid
chromatography (HPLC) method has been used for the examination of ten species of five genera of the tribe
Poeae which is (Cutandia dichotoma, Cutandia memphetica, Dactylis glomerata, Echinaria capitata,
Eremopoa persica, Poa angustifolia, Poa annua, Poa pratensis, Poa triviales and Psilurus incurvus); eight
compounds were isolated and identified. The results showed variation in compounds concentration, most
species are similar in Phenolic compound composition except Cutandia dichotoma, Eremopoa persica and
Poa pratensis which are lacking one or more compounds. The aim of this study is to clarify and improve that
these species have the same ancestor and belong to the same family (Poaceae) and tribe (Poeae) in Iraq,
depending on the standard values available in the white field company for chemical and engineering
consulting in Baghdad.

Flavonoles compounds which have chemical structures[ C18H14O5(F1), C17H15NO3(F2), C17H14O4(F3),
C17H13ClO3(F4),and C18H16O3(F5)] were selected in this work.
A complete and detailed study of the flavonoles compounds is performed by popular quantum mechanical
methods. It includes vibrational spectra, and electronic spectra of organic molecules. Semi-empirical methods
(ZINDO/1, PM3 and ZINDO/S) were carried out to evaluate heat of formation ∆H˚f, binding energy ∆Eb,
dipole moment for all compounds. Also vibration frequencies and electronic transitions of flavonoles
compounds were calculated.

Kinetics of oxidation of two of primary alcohols by N-bromoacetamide (NBA) has been studied in acidic
medium using chloro complex of Rh(III) as homogeneous catalyst. The reaction shows first order kinetics
with respect to NBA and alcohols concentrations, The reaction also shows first order kinetics with respect to
Rh(III) concentration and fractional order with respect to [H+]. Invers fractional order with respect to
[Acetamide] was obtained in Rh(III) catalysed oxidation of alcohols. Variation of ionic strength, dielectric
constant and chloride ion of the medium has no effect on the rate of oxidation. H2OBr+ and [Rh(H2O) Cl5]-2
have been suggested to be the reactive species of NBA and Rh(III)chloride in acid medium. The rates were
determined at four different temperatures and the activation parameters were evaluated. A mechanism
involving formation of hypobromite ester in the rate determining step has been proposed. The main oxidation
products of the reactions have been identified as aldehyde.