Negative Linear Compressibility of a Metal-Organic Framework
Negative Linear Compressibility of a Metal-Organic Framework
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DOI：
10.1021/ja305196u
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发表时间：
2012-07-25
影响因子：
15
通讯作者：
Cheetham, Anthony K.
中科院分区：
文献类型：
--
作者：
Li, Wei;Probert, Michael R.;Cheetham, Anthony K.
三维杂化甲酸锌骨架[NH 4][Zn（HCOO）（3）]具有acs拓扑结构，沿着c轴具有高度的力学各向异性和负线性压缩性（NLC）。高压单晶X射线衍射研究和密度泛函理论计算表明，随着压力的增加，Zn-O键的收缩和甲酸配体的倾斜引起结构的变化，导致a和B轴的收缩和NLC效应沿着c。
A 3D hybrid zinc formate framework, [NH4][Zn(HCOO)(3)], possessing an acs topology, shows a high degree of mechanical anisotropy and negative linear compressibility (NLC) along its c axis. High-pressure single-crystal X-ray diffraction studies and density functional theory calculations indicate that contraction of the Zn-O bonds and tilting of the formate ligands with increasing pressure induce changes in structure that result in shrinkage of the a and b axes and the NLC effect along c.