A new metal-organic framework constructed from tetracarboxylate: Structure, magnetism and simulation

作者：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

来源：Inorganic and Nano-Metal Chemistry, 2017, 47(2): 218-222.

DOI：10.1080/15533174.2016.1149732

• Topology
• magnetism
• semiempirical simulation

A new metal-organic framework of [Cu-2(L)(H2O)(2)]center dot 2DMF (1) (H4L D 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 compound 1. In addition, we performed an optimization by semiempirical PM5 method simulations to investigate the loading of 5-FU to 1 at the molecular level.

• 出版日期2017
• 单位陕西师范大学; 广东医科大学