Crystal Structure and Structural Transformation of [(CH3)3NH]2[CuZn(CN)5]

• Published in: Zeitschrift für anorganische und allgemeine Chemie (1950) 2019-02, Vol.645 (4), p.466-471
• Main Authors: Miyahara, Kana, Yoshida, Jun, Yuge, Hidetaka, Nishikiori, Shin‐ichi
• Format: Article
• Language: English
• Subjects: Bridging; Chemical synthesis; Coordination polymers; Copper; Crystal structure; Cyanides; Diamonds; Ligands; Metal ions; NMR spectroscopy; Organic chemistry; Pressure; Structural transformation; Transformations; Water vapor; Zinc
• ISSN: 0044-2313; 1521-3749
• DOI: 10.1002/zaac.201800461

A newly synthesized coordination polymer, [(CH3)3NH]2[CuZn(CN)5], was investigated using 13C and 63Cu solid‐state NMR techniques and single‐crystal X‐ray diffractometry. It consists of a three‐dimensional (3D) net composed of tetrahedral CuI and ZnII ions and CN– ligands bridging between the two metal ions. (CH3)3NH+ ions are trapped in the inner space of the 3D net. Three coordination sites of each metal ion are used for the formation of the 3D net and the remaining site is occupied by a unidentate CN– ligand. The structure of the 3D net is chiral and categorized as srs in the notation of the Reticular Chemistry Structure Resource (RCSR). In water vapor or open air at room temperature under ambient pressure, a powder of [(CH3)3NH]2[CuZn(CN)5] showed a structural transformation to [(CH3)3NH][CuZn(CN)4]·1.5H2O, which is a known compound with a diamond‐like 3D net of [CuZn(CN)4]– composed of tetrahedral CuI and ZnII ions and bridging CN– ligands. 63Cu solid‐state NMR spectroscopy revealed that the Cu‐CN‐Zn orientation of the bridging CN– ligands was conserved after the structural transformation.