Find in Library
Search millions of books, articles, and more
Indexed Open Access Databases
Synthesis, characterization and theoretical study of a new asymmetrical tripodal amine containing morpholine moiety
oleh: Majid Rezaeivala, Sadegh Salehzadeh, Hassan Keypour, Seik Weng Ng, Laura Valencia
Format: | Article |
---|---|
Diterbitkan: | Elsevier 2016-11-01 |
Deskripsi
A new asymmetrical tripodal amine, [H3L2]Br3 containing morpholine moiety was prepared from reacting of one equivalent of N-(3-aminopropyl)morpholine and two equivalents of tosylaziridine, followed by detosylation with HBr/CH3COOH. The products were characterized by various spectroscopic methods such as FAB-MS, elemental analysis, 1H and 13C NMR spectroscopy. The crystal structure of the hydrobromide salt of the latter amine, [H3L2]Br3, was also determined. For triprotonated form of the ligand L2 we can consider several microspecies and/or conformers. A theoretical study at B3LYP/6-31Gāā level of theory showed that the characterized microspecies is the most stable microspecies for the triprotonated form of the ligand. It was shown that the experimental NMR data for [H3L2]Br3 in solution have good correlation with the corresponding calculated data for the most stable microspecies of [H3L2]3+ in the gas phase.