Abstract
Ab initio calculations based on the density functional theory (DFT) were performed with respect to the structure and orbital energy values of a simple [HPO3BH]4 cage, and the results were discussed with structural parameters reported for other borophosphonate cages as well as with the calculated orbital energy values of its silsesquioxane analogue, [HSiO1.5]8. In addition, two novel borophosphonate cages capable of use as element-block monomers were prepared from two boronic acid-t-butylphosphonic acid reactions.
Original language | English |
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Pages (from-to) | 181-184 |
Number of pages | 4 |
Journal | Chemistry Letters |
Volume | 46 |
Issue number | 2 |
DOIs | |
Publication status | Published - 2017 |
Keywords
- Borophosphonate cage
- Density functional theory (DFT)
- Element-block
ASJC Scopus subject areas
- Chemistry(all)