Sigma donor and pi acceptor characteristics of certain NN-bidentate ligands: a DFT Study was written by Maqsood, Syed Raashid;Islam, Nasarul;Bashir, Shabnum;Khan, Badruddin;Pandith, Altaf Hussain. And the article was included in Journal of Coordination Chemistry in 2013.Application In Synthesis of 2-Bromo-1,10-phenanthroline This article mentions the following:
Metal ion binding affinity of three NN bidentate ligands in terms of simple parameters of the conceptual d. functional theory is reported. Role of ligand framework for chelate stabilization for ethylenediamine (en) bipyridyl (bpy), and 1,10 phenanthroline (phen) is quantified on the basis of NCCN dihedral angle (φ) and N-N spatial distance. We find that the sigma (σ) donor character of three NN-bidentate ligands follow the order phen < bpy < en, which is quit opposite to their exptl. observed stability constant data. However, the overall binding affinity order is correlative with the chelate stabilization and pi back acceptance characteristics; thereby explaining the exptl. stability order. We also studied the effect of some electron donating and electron withdrawing substituents on the sigma bonding affinity and pi (π) bonding behavior of the various substituted phen derivatives The overall binding affinity of these derivatives was correlated on the basis of electrophilicity index (ω). σ Donor character for the ligands was observed to vary in the order NH2 > Ph > OH > CH3 > H > Br > Cl > COOH > NO2 for the substitution at 2 and 9 positions. The trend was found in synergism with their Ortho, Para directing efficiencies. In the experiment, the researchers used many compounds, for example, 2-Bromo-1,10-phenanthroline (cas: 22426-14-8Application In Synthesis of 2-Bromo-1,10-phenanthroline).
2-Bromo-1,10-phenanthroline (cas: 22426-14-8) belongs to organobromine compounds. Organo bromine compounds are versatile compounds and are widely used in diverse fields. Organo bromine derivatives are used in the dye sector, as an indicator in analytical chemistry (Bromothymol blue is a popular indicator). Many of the alkyl bromine derivatives are excellent alkylating agents since bromides are good leaving groups. Tribromides, like tetrabutylammonium tribromide, are used as a solid source of bromine. N-bromosuccimide (NBS) is used for the selective bromination of allylic bonds.Application In Synthesis of 2-Bromo-1,10-phenanthroline
Referemce:
Bromide – Wikipedia,
bromide – Wiktionary