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Coordinated and clathrated guests in the (3)(infinity)[Hg6As4](4+) bicompartmental framework: Synthesis, crystal and electronic structure, and properties of the novel supramolecular complexes [Hg6As4](CrBr6)Br and [Hg6As4](FeBr6)Hg-0.6статья
Статья опубликована в высокорейтинговом журнале
Информация о цитировании статьи получена из
Web of Science,
Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
- Авторы: Olenev A.V., Oleneva O.S., Lindsjo M., Kloo L.A., Shevelkov A.V.
- Журнал: Chemistry - A European Journal
- Том: 9
- Номер: 14
- Год издания: 2003
- Издательство: John Wiley & Sons Ltd.
- Местоположение издательства: United Kingdom
- Первая страница: 3201
- Последняя страница: 3208
- DOI: 10.1002/chem.200204687
- Аннотация: Two new supramolecular complexes [Hg6As4](CrBr6)Br (1) and [Hg6As4](FeBr6)Hg-0.6 (2) have been prepared by the standard ampoule technique and their crystal structures determined. Both crystallize in the cubic space group PO with the unit cell parameter a = 12.275(1) (1) and 12.332(1) Angstrom (2), and Z = 4. Their structures consist of bicompartmental, three-dimensional [Hg6As4](4+) frameworks with cavities of two different sizes occupied by guest anions of different type. ne bigger cavities are filled with the octahedral MBr6n- ions (M = Cr or Fe; n = 3 or 4), whereas the smaller cavities trap either Br- ions (1) or Hg-0 (2). The analysis of the host-guest contacts has allowed a classification of the octahedral guests as coordinated and the monatomic guests as clathrated. Magnetic measurements and ESR spectroscopy data have given information about the interaction between the host and guests. Band structure calculations (HF and hybrid DFT level) indicate that both 1 and 2 are non-metallic, with a band gap of approximately 1.5 eV (B3LYP), and that the interaction between the host and guests is of predominantly electrostatic character. It is shown that though the electrostatic host-guest interaction is weak it plays an important role in assembling the perfectly ordered supramolecular architectures.
- Добавил в систему: Шевельков Андрей Владимирович