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Volume 4, No. 2, June 2009, Jumada 2 1430 H

Articles

 

 

Specific Reactivity of the 4-Chloro-3-phenyl-5.5.5-trifluoropent-3-en-2-one with Various Nucleophiles

4-chloro-3-phenyl-5.5.5-trifluoropent-3-en-2-one reactivity towards various nucleophiles has been studied. Depending on solvents and reagents, several mechanisms are involved: 1.2-addition followed or not by oxidation or addition, b-substitution followed by elimination and cyclization reaction.

 

 

Emna Zouaoui*, Mohamed Moncef El Gaďed

 JJC, 2009, 4(2), 103-110

Synthesis and X-Ray Crystal Structure of
[(thf)4Ca{Fe2(CO)6(µ-CO)(µ-PPh2)}2]

The reaction of [(thf)4Ca(PPh2)2] with iron carbonyls such as Fe(CO)5, Fe2(CO)9, and Fe3(CO)12 yields the heterobimetallic contact ion pair [(thf)4Ca{Fe2(CO)6(µ-CO)(µ-PPh2)}2] as shown below. The hexa-coordinate calcium atom binds to the bridging carbonyl groups of the dinuclear anions. The reaction proceeds via two main intermediates which are observed by NMR spectroscopy.

 

 

Tareq Mousa Ali Al-Shboul, Helmar Görls, Matthias Westerhausen*

 JJC, 2009, 4(2), 111-118

Adduct Formation and Stability of Methyltrioxorhenium(VII) with a Series of Aliphatic and Aromatic Nitrogen–Donor Ligands

Aliphatic and aromatic N-donor ligands form 1:1 adducts with the well known catalyst; methyltrioxorhenium(VII), MTO, in organic solvents. The formation constant (Kf) is correlated well with the pKa value of the ligand, and increases with the ligands' basicity. In general, the aromatic ligand adducts are much more stable than the aliphatic ones.

 

Mazin Y. Shatnawi* and Ahmad M. Al-Ajlouni*

JJC, 2009, 4(2), 119-130

Crystal Structure, and Crystal Supramolecularity of Bis(3,5-Dimethylpyridinium)Tetrahalocuprate(II) [Halide = Cl or Br]

The reaction of CuX2 (X = Cl or Br) with 3,5-dimethylpyridine in aqueous acids (HX; X = Cl, Br) yields (3,5-dimethylpyridinium)2[CuX4]. The crystal structure and crystal supramolecularity were discussed.

 

Rawhi Al-Far*, Basem F. Ali, Salim F. Haddad

JJC, 2009, 4(2), 131-141

Quantum-Chemical Study of Phosphorus Effect
on Properties of Small Silicon Clusters

This study has investigated phosphorus effect on the properties of small silicon clusters through the determination of optimized molecular structures, fragmentation energies, dissociation energies, energy gaps between the highest occupied (HOMO) and lowest unoccupied (LUMO) molecular orbitals, and formation energies of the pure clusters SiN and doped clusters with a single phosphorus atom SiN-1P (N ≤ 13) by means of hybrid density functional theory (DFT=B3LYP) method. The basis sets used in this work split-valence with double-z plus polarization quality with additional diffuse functions, denoted [ 6-31++G(3d)].

 

Pure Silicon Clusters

Phosphorus's doped  Silicon Clusters