Essential Structural Factors of Bis-1,2-diol in Polyol Molecules for Capturing Boron

• Published in: Solvent Extraction Research and Development, Japan Vol. 18; pp. 113 - 121
• Main Authors: OKOBIRA, Tadashi, MATSUOKA, Naoko, FUJINO, Hiroaki, TAJIRI, Naomi, UEZU, Kazuya
• Format: Journal Article
• Language: English
• Published: Japan Association of Solvent Extraction 2011
• ISSN: 1341-7215; 2188-4765
• DOI: 10.15261/serdj.18.113

The binding mechanism between boron and polyol molecules was investigated by using Nuclear Magnetic Resonance (11B-NMR), Electrospray Ionization Time-of-Flight Mass Spectrometry (ESI-TOF-MS) and computational chemistry. The results of 11B-NMR and ESI-TOF-MS showed that N-methyl-D-glucamine (NMG) and boron mainly forms the 2:1 complex. On the other hand, the 3-amino-1,2-propanediol (APD) - boron complex was not observed under the condition when the equivalent amount of APD was added to the boron solution. The peak of the APD-boron complex in the 11B-NMR measurement was observed under the concentration condition of excess APD to boron. We investigated the structural features of polyol-boron complexes by using computational chemistry, and it was found that the distortion of the dihedral angles of the bis-1,2-diol in the polyol molecules significantly affected the ability to capture boron.