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.

Язык оригиналаанглийский
Страницы (с-по)285-291
Число страниц7
ЖурналInorganica Chimica Acta
СостояниеОпубликовано - 24 мар 2019


Подробные сведения о темах исследования «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>». Вместе они формируют уникальный семантический отпечаток (fingerprint).