International Journal of New Chemistry

66-75

Authors: Guhanathan Selvam; M.Sathiya Murugesan; Sangeetha Uthaikumar

The synthesis, structure and biological activity of carbazole compounds has been long focus of research interests in the field of medicinal chemistry. 5,8-dibromo-5,6-dihydro(3,2-a)carbazole A have prepared in good yield by a free radical bromination reaction of 8-bromo-5,6-dihydro9(3,2-a)carbazole with N-bromosuccinimide in carbontetrachloride at ambient temperature.. Compound 2 have prepared by free radical brimination method in carbontetrachloride at 40°C. Synthesis of compound C have carried out by free radical bromination with 5-bromo-1,2,3,4-tetrahydrocyclopenta(b)indole as reactant, in dichloromethane at ambient temperature. Compound 2, 4, and 6 were synthesized by N-bromoacetylation method using bromoacetylbromide as reactant. All the synthesized compounds were characterized and confirmed by various instrumental techniques Viz, UV-visible, FTIR, 1H NMR, 13C NMR and Mass spectroscopy. All the synthesized compounds were subjected to the antibacterial evaluation with standard Ciprofloxacin. The results showed that the synthesized compounds exhibit excellent antibacterial activity.

109-132

Authors: Mahdi Rezaei Sameti; Sedigheh Azadi doureh

In this work, by using density functional theory, the adsorption of Nitramide (NH2NO2) molecule on the surface of pristine, B, As and B&As doped (4,4) armchair aluminum nitride nanotube (AlNNTs) is investigated. From optimized structures the adsorption energy, deformation energy, natural bond orbital (NBO), atom in molecule (AIM), quantum parameters, reduced density gradient (RDG) and molecular electrostatic potential (MEP) are calculated. The calculated results indicate that the adsorption energy values of NH2NO2 on the surface of pristine, As, B and B&As doped AlNNTs complex are negative and favorable in viewpoint of thermodynamic. Moreover the adsorption of NH2NO2 molecule on the surface of B&As doped AlNNTs is more stable and favorable than other models. It is notable that with doping B&As atoms in AlNNTs the deformation energy of NH2NO2 and nanotube are less than other models. The results of AIM and RDG outcomes demonstrate that nature of binding NH2NO2…AlNNTs is covalent bond type, indicates strong interactions. The results of NBO & Mulliken partial charge transfer, HOMO-LUMO, total charge transfer parameters (ΔN) and molecular electrostatic potential (MEP) display that the charge transfer occurred from NH2NO2 molecule toward nanotube surface and electrical properties of system change significantly from original state. The results of this study reveal that the B&As doped AlNNTs is a good adsorbent for NH2NO2 molecule.

143-150

Authors: Hoda Pasdar; Bahare Hedayati Saghavaz; Masoomeh Masoumi

The recovery of selenium from Iranian sar-cheshmeh copper anode slime has been investigated. Copper anode slimes are containing varying precious metals, such as: gold, silver, selenium and tellurium. They are being extracted as a by-product in the production process. Arsenic and antimony that present in anode slimes dissolved in 0.4 M KOH. Then, the alkaline roasting of anode slimes in the presence of Na2CO3 solubilized selenium. Various parameters such as time and temperature of alkaline roasting were studied. The results indicated that the optimum condition for the temperature and time of roasting found to be T=600C and time= 8 h respectively, and that optimum recovery of selenium was 98%.