Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges

• Published in: Journal of the American Chemical Society Vol. 126; no. 50; pp. 16587 - 16600
• Main Authors: Sekiya, Ryo, Nishikiori, Shin-ichi, Ogura, Katsuyuki
• Format: Journal Article
• Language: English
• Published: Washington, DC American Chemical Society 22.12.2004
• Subjects: Chemistry; Condensed matter: structure, mechanical and thermal properties; Coordination compounds; Exact sciences and technology; Inorganic chemistry and origins of life; Inorganic compounds; Metal complexes; Physics; Preparations and properties; Structure of solids and liquids; crystallography; Structure of specific crystalline solids; Molecular packing; Nickel Complexes; Molecular structure; Nitrogen heterocycle; Organic ligand; Molecular interaction; Inorganic synthesis; Transition metal Complexes; X ray diffraction; Van der Waals interaction; Isocyanato complex; Inclusion compound; Crystalline structure
• ISSN: 0002-7863; 1520-5126
• DOI: 10.1021/ja0463280

The synthesis, crystal structures, inclusion ability, and structural robustness of novel crystalline inclusion compounds of [Ni(SCN)2(isoH)2]·xG (isoH = isonicotinic acid; G = aromatic guest) are described. The inclusion compounds are constructed by stacking identical 2D host layers that consist of SCN-, isoH, and Ni2+ with van der Waals contact separation. In the layer, two types of rectangular cavities (A-type and B-type) are formed, and the guests are included in the former cavity. The inclusion compounds were categorized into four stacking modes according to the difference in the stacking mode of the layers. A systematic investigation of the crystal structures of the 21 inclusion compounds clarified the close relationship between the molecular structure of the guest and the resultant stacking mode of the layers.