First principles calculations of cobalt doped zigzag graphene nanoribbons

We have investigated the stability and electronic properties of Co-doped zigzag graphene nanoribbons (ZGNR) by employing first principles calculations based on density functional theory. The results show that Co impurities settled in antiferromagnetic ground state which is ～2 meV favourable than ferromagnetic state. The formation energy indicates spontaneous formation of one-edge and centre doped structures, however, one-edge doping is found to be the most energetically favourable configuration. A charge transfer takes place from C to Co atoms which shows the formation of chemical bonding between C and Co. Binding energy also confirms the strong bonding of dopant Co impurity with C. The calculations show that band structures of all the ZGNR is substantially modified due to CoC charge transfer and the characteristic edge states of ZGNR are completely lost. Co-doping induces site independent enhanced metallicity irrespective of the ribbon widths. The broken degeneracy of electronic states in one-edge and centre doped ZGNR is important for spintronic applications.     

A Novel Strategy for N-Alkylation of Primary Amines

N-alkyiation of primary amines has been carried out with alkylbromide using commercial Me₂SO and K₂CO₃ as a base. This process offers a method of selection for obtaining either mono or dialkyl amines.     

Oxidative Cleavage of Ketoximes with Iodosobenzene Diacetate

Hypervalent iodine oxidation of ketoximes (1) using iodosobenzene diacetate leads to cleavage of 1 with the formation of corresponding ketones (2) under neutral conditions in good yields. The scope and limitations of the reaction are discussed as well as the mechanism.     

Formation of Secondary or Tertiary Aliphatic Amines in Aqueous Media

Secondary and tertiary amines can be easily obtained from primary and secondary amines, respectively, in completely aqueous media, in the presence of a bicatalytic system formed of cheap commercial aluminum (Al) powder and 5% rhodium (Rh) or ruthenium (Ru) deposed on charcoal.     

Synthesis and biological activities of 2-methyl-4-N-2′-cyanoethyl-N-substituted benzaldehydes and their derivatives

Synthesis and antiAIDS, anticancer, antitubercular, fungicidal and antibacterial activities of 2-methyl-4-N-2′-cyanoethyl-N-methane/benzenesulphonylaminobenzaldehyde and their hydrazones are reported.