2D Compound Constructed by Cu3 Units with Mixed Azido and Tetrazole Double Bridges: Synthesis, Structure, and Theoretical Study on Magnetic Properties. Issue 11 (24th July 2015)

• Record Type: Journal Article
• Authors: Cheng, Min; Lu, Dongmei; Ding, You‐Song; Jia, Qin‐Xiang
• Is Part Of: Zeitschrift für anorganische und allgemeine Chemie. Volume 641:Issue 11(2015)
• Page Start: 1969
• Page End: 1973
• Publication Date: 2015-07-24
• Subjects: Chemistry, Inorganic -- Periodicals; Chemistry -- Periodicals; 540
• DOI: 10.1002/zaac.201500223
• Languages: English
• ISSNs: 0044-2313

Abstract

<abstract abstract-type="main" xml:lang="en"> <title>Abstract</title> <p>The two‐dimensional (2D) layer Cu^II compound [Cu₃(L)₂(N₃)₄] (<bold>1</bold>) [L = 2‐amino‐3‐(5‐tetrazole)‐methyate‐<italic>N</italic>‐pyridine] was synthesized by in‐situ hydrothermal reaction of CuCl₂<bold>·</bold>2H₂O, NaN₃, and 3‐(5‐tetrazole)‐methyate‐<italic>N</italic>‐pyridine. The central Cu1 and Cu2 atoms are located in five‐coordinate and six‐coordinate arrangements, respectively. Three Cu^II ions are linked by mixed double EO (end‐on)‐azido‐tetrazole bridges to give trinuclear Cu^II clusters, which are further extended by EE (end‐to‐end) azido bridges to form 2D metal‐organic layers. The magnetic exchange interactions in complex <bold>1</bold> were investigated by DFT calculations, and the calculated exchange interaction (<italic>J</italic> = –849 cm^–1) revealed that the double EO‐azido‐tetrazole bridges transmit antiferromagnetic coupling between Cu^II ions.</p> </abstract>