Theoretical Studies on Complete Gas-Pha se Proton Microaffinity Analysis of Three Linear Aliphatic Hexaamine Ligands

Multi dentate ami ne ligands h ave played an important role in t he developm ent of synthetic, struct ural and stereochemica l aspects of coordination chemis try[۱]. Pol yamines in their proton ated states form complexes with anions in aqueous solu tion. In latter complex ation proces s, polyami nes are at least tetra-p rotonated a nd contain six or more nitrogen atoms. Recently we introduced three new defined proton affinities for p olybasic molecules in th e gas phase: proton mi croaffinity, proton macroaffinity an d proton ov erallaffinity[۲-۴]. We showed that t here is a good correlation between the calcula ted gas-pha se proton macroaffinit ies of some polyamine ligands with corresponding proto nation macroconstants in solutio n[۳] . Herei n we want to report a th eoretical study on complete gas ph ase proton microaffinities of three linear hex aamine ligands with general formula H۲ N(CH۲)nNH(CH۲)nNH(C H۲)m NH(CH۲)nNH(CH ۲)nNH۲; where n=m=۲ (۲۲۲۲۲-Hex); n=۳, m =۲ (۳۳۲۳۳- Hex) and n =m=۳ (۳۳۳۳۳-Hex).

کلیدواژه ها:

Theoretical Stud y ، Proton M icroaffinity ، Proton Macroaffinity ، Polyamines