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 Vladimirovich Belosludov, Mahtab Fathi-Rasekh, Eranda Maligaspe, Nikolay N. Gerasimchuk, Victor N. Nemykin

Research output: Contribution to journalArticlepeer-review

5 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)1027-1037
Number of pages11
JournalCrystal Growth and Design
Volume16
Issue number2
DOIs
Publication statusPublished - 2016 Feb 3

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics

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