Initial Report on Molecular and Electronic Structure of Spherical Multiferrocenyl/tin(IV) (Hydr)oxide [(FcSn)12O14(OH)6]X2 Clusters

Pavlo V. Solntsev, Derrick R. Anderson, Hannah M. Rhoda, Rodion V. Belosludov, Mahtab Fathi-Rasekh, Eranda Maligaspe, Nikolay N. Gerasimchuk, Victor N. Nemykin

研究成果: Article査読

5 被引用数 (Scopus)

抄録

Two spherical organic-inorganic ferrocene-tin (hydr)oxide clusters of general formula [(FcSn)12O14(OH)6]X2 (Fc = ferrocenyl, X = nitroso-dicyanmethanide, DCO- and benzoylcyanoxime, PCO- anions) were prepared by the direct hydrolysis of Fc2SnCl2 or FcSnCl3 precursors in the presence of light- and thermally stable Ag(DCO) or Ag(PCO) salts. Molecular structures of FcSnCl3Py2 (1), Fc2SnCl2Py2 (2), [(FcSn)12O14(OH)6](DCO)2 (3), and [(FcSn)12O14(OH)6](PCO)2 (4) were investigated by X-ray crystallography. Density function theory (DFT) and time-dependent density functional theory (TDDFT) calculations were conducted on FcSnCl3Py2, Fc2SnCl2Py2, and [(FcSn)12O14(OH)6]2+ compounds in order to elaborate electronic structures and assign transitions in UV-vis spectra of these systems. The DFT and TDDFT calculations suggest that the organometallic substituents in the [(FcSn)12O14(OH)6]2+ core are rather isolated from each other.

本文言語English
ページ(範囲)1027-1037
ページ数11
ジャーナルCrystal Growth and Design
16
2
DOI
出版ステータスPublished - 2016 2 3

ASJC Scopus subject areas

  • 化学 (全般)
  • 材料科学(全般)
  • 凝縮系物理学

フィンガープリント

「Initial Report on Molecular and Electronic Structure of Spherical Multiferrocenyl/tin(IV) (Hydr)oxide [(FcSn)<sub>12</sub>O<sub>14</sub>(OH)<sub>6</sub>]X<sub>2</sub> Clusters」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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