Structural characterisation of beryllium phthalocyaninato(2-) complexes axially ligated by O- and N-donating ligands
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- 作者：Ryszard Kubiak ; Jan Janczak
- 关键词：Phthalocyanines ; Beryllium ; Coordination complexes ; Crystal structure
- 刊名：Journal of Molecular Structure
- 出版年：2009
- 出版时间：29 October 2009
- 年：2009
- 卷：935
- 期：1-3
- 页码：53-59
- 全文大小：1756 K
文摘
Recrystallisation of beryllium phthalocyanine (BePc) in water-free 2-picoline (2-Mepy) and in water-free 3-picoline (3-Mepy) yields to obtain the BePc(2-Mepy)·2-Mepy (I) and BePc(3-Mepy)·3-Mepy (II), while recrystallisation in wet (containing water) 2- and 3-picolines isomers yields to formation of the aquaberyllium phthalocyaninato(2-) complexes that crystallise with solvent molecule, 2-picoline (Ia) or 3-picoline (IIa). Single crystal analyses show 4 + 1 coordination of the Be(II) ion in these complexes. It is equatorially ligated by the four N-isoindole atoms of Pc macrocycle and axially by the N-ring atom of 3-Mepy (II) or by O atom of water in Ia and IIa. Interaction of the central Be(II) ion of the BePc with axial N or O donating ligands leads to the saucer-shape form of Pc macrocycle and deviates the Be(II) from the N4-isoindole plane by 0.31 Å. Thus, π–π interaction between the π-clouds of Pc aromatic macrorings in II and additionally the O–HN hydrogen bonds in Ia and IIa are the forces responsible for the stabilisation of the molecular arrangement in the crystals. Thermogravimetric analyses confirm the compositions of the complexes.