11B NMR Chemical Shift Predictions via Density Functional Theory and Gauge-Including Atomic Orbital Approach: Applications to Structural Elucidations of Boron-Containing Molecules
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DOI: 10.1021/acsomega.9b01566
Abstract: 11B nuclear magnetic resonance (NMR) spectroscopy is a useful tool for studies of boron-containing compounds in terms of structural analysis and reaction kinetics monitoring. A computational protocol, which is aimed at an accurate prediction of… read more here.
Keywords: density functional; 11b nmr; nmr chemical; density ... See more keywords
A Practical 11B NMR Evaluation of BH3 Titer in Commercial Solutions
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DOI: 10.1055/s-0036-1588710
Abstract: Many reduction reactions require the use of BH3, which is commercially available as complex in many different solvents. The determination of the content of BH3 in such solutions could be an important issue when the… read more here.
Keywords: 11b nmr; practical 11b; nmr evaluation; bh3 ... See more keywords
Hydrolysis of the Borohydride Anion BH4−: A 11B NMR Study Showing the Formation of Short-Living Reaction Intermediates including BH3OH−
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DOI: 10.3390/molecules27061975
Abstract: In hydrolysis and electro-oxidation of the borohydride anion BH4−, key reactions in the field of energy, one critical short-living intermediate is BH3OH−. When water was used as both solvent and reactant, only BH3OH− is detected… read more here.
Keywords: borohydride anion; short living; anion bh4; 11b nmr ... See more keywords