Borophosphonate cages as element-blocks: Ab initio calculation of the electronic structure of a simple borophosphonate, [HPO3BH]4, and synthesis of two novel borophosphonate cages with polymerizable groups

Julián Zapico, Marie Shirai, Ryo Sugiura, Naokazu Idota, Hiroyuki Fueno, Kazuyoshi Tanaka, Yoshiyuki Sugahara

研究成果: Article査読

3 被引用数 (Scopus)

抄録

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.

本文言語English
ページ(範囲)181-184
ページ数4
ジャーナルChemistry Letters
46
2
DOI
出版ステータスPublished - 2017

ASJC Scopus subject areas

  • 化学 (全般)

フィンガープリント

「Borophosphonate cages as element-blocks: Ab initio calculation of the electronic structure of a simple borophosphonate, [HPO<sub>3</sub>BH]<sub>4</sub>, and synthesis of two novel borophosphonate cages with polymerizable groups」の研究トピックを掘り下げます。これらがまとまってユニークなフィンガープリントを構成します。

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