Synthesis, structure and DFT calculations of the first bioctahedral chalcohalide rhenium cluster complex (Et4N)4(Me 2NH2)2[Re12CS17Br 6]

Yakov M. Gayfulin, Anton I. Smolentsev, Svetlana G. Kozlova, Vadim V. Yanshole, Yuri V. Mironov

Результат исследования: Научные публикации в периодических изданияхстатьярецензирование

6 Цитирования (Scopus)

Аннотация

The first example of dodecanuclear chalcohalide rhenium cluster complex, (Et4N)4(Me2NH2)2[Re 12CS17Br6] (1), has been synthesized by reaction of polymeric cluster solid Re12CS17 with excess of Et4NBr in boiling DMF. The compound was characterized by a set of methods, including IR and UV-Vis spectroscopy, elemental analysis, EDS, mass-spectrometry, single-crystal X-ray diffraction analysis, and quantum-chemical calculations. The crystal structure presents an interesting case of 1D supramolecular architecture based on notably short Br⋯Br interactions of 3.432 Å between the terminal bromide trans-ligands of adjacent [Re12CS17Br6]6- cluster anions. The DFT calculations performed for the [Re12CS 17Br6]6- anion showed good agreement between calculated and experimental data.

Язык оригиналаанглийский
Страницы (с-по)334-339
Число страниц6
ЖурналPolyhedron
Том68
DOI
СостояниеОпубликовано - 28 янв 2014

Предметные области OECD FOS+WOS

  • 1.04 ХИМИЧЕСКИЕ НАУКИ
  • 1.04.FI КРИСТАЛЛОГРАФИЯ

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Подробные сведения о темах исследования «Synthesis, structure and DFT calculations of the first bioctahedral chalcohalide rhenium cluster complex (Et<sub>4</sub>N)<sub>4</sub>(Me <sub>2</sub>NH<sub>2</sub>)<sub>2</sub>[Re<sub>12</sub>CS<sub>17</sub>Br <sub>6</sub>]». Вместе они формируют уникальный семантический отпечаток (fingerprint).

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