First titanium square fragment {Ti44-Se)(μ2-Se2)4} in its selenoiodide: Synthesis and structure of Ti4Se9I6

Research output: Contribution to journalArticlepeer-review

1 Citation (Scopus)

Abstract

The first titanium selenoiodide Ti4Se9I6 was synthesized as black crystals by heating of Ti, Se, and I2 at 250 °C in 5:9:5 M ratio. The crystal structure of the compound was solved by X-ray single-crystal diffractometry (sp. gr. P-1, a = 7.9652(10), b = 10.3390(15), c = 15.692(2) Å; α = 79.116(7)° β = 75.861(7)° γ = 71.437(7)°; Z = 2) with final R1 = 0.0397. The structure includes square {Ti44-Se)(μ2-Se2)4} fragment coordinated by four terminal and four bridging μ2-I atoms. Ti4+ has d0 configuration, and stability of the structure fragments is provided by metal to ligand bonding which was confirmed by DFT calculations.

Original languageEnglish
Pages (from-to)285-291
Number of pages7
JournalInorganica Chimica Acta
Volume488
DOIs
Publication statusPublished - 24 Mar 2019

Keywords

  • Chain structure
  • DFT calculations
  • Iodide
  • Metal chalcohalides
  • Selenide
  • Square complex
  • Synthesis
  • Titanium
  • X-ray crystal structure
  • ACCURATE
  • NIOBIUM
  • RICH LANTHANIDE CLUSTERS
  • DENSITY
  • ORDER REGULAR APPROXIMATION
  • INTEGRATION
  • NB2SE2I6
  • HALIDE STARTING MATERIALS
  • CHAIN COMPOUND
  • THIOBROMIDE

Fingerprint

Dive into the research topics of 'First titanium square fragment {Ti<sub>4</sub>(μ<sub>4</sub>-Se)(μ<sub>2</sub>-Se<sub>2</sub>)<sub>4</sub>} in its selenoiodide: Synthesis and structure of Ti<sub>4</sub>Se<sub>9</sub>I<sub>6</sub>'. Together they form a unique fingerprint.

Cite this