A new metal-organic framework constructed from tetracarboxylate: Structure, magnetism and simulation. Issue 2 (1st February 2017)

• Record Type: Journal Article
• Authors: Wang, Fu-Min; Liu, Wei-Cong; Wu, Xi-Ren; Xu, Jing-Wen; Luo, Miao-Miao; Yang, Su-Zhen; Wu, Jia-Min; Li, Qing-Lin; Liu, Jian-Qiang
• Is Part Of: Inorganic and nano-metal chemistry. Volume 47:Issue 2(2017)
• Page Start: 218
• Page End: 222
• Publication Date: 2017-02-01
• Subjects: Topology -- magnetism -- semiempirical simulation; Inorganic compounds -- Synthesis -- Periodicals; Nanostructured materials -- Periodicals; Reactivity (Chemistry) -- Periodicals; Inorganic compounds -- Synthesis; Nanostructured materials; Reactivity (Chemistry); Periodicals; 546
• DOI: 10.1080/15533174.2016.1149732
• Languages: English
• ISSNs: 2470-1556

Abstract

ABSTRACT: A new metal-organic framework of [Cu2 (L)(H2 O)2 ]·2DMF (1 ) (H4 L = quaterphenyl-3, 3′″, 5, 5′″-tetracarboxylic acid) has been prepared and characterized. It has the NbO-derived topology that was observed in MOF-505. Magnetic study reveals the overall antiferromagnetic interactions between neighboring Cu(II) ions in compound1 . In addition, we performed an optimization by semiempirical PM5 method simulations to investigate the loading of 5-FU to1 at the molecular level.