A novel 1D silver(I) coordination polymer constructed from indol-3-butyric acid: Synthesis, crystal structure and natural bond orbital analysis by DFT

作者：Zorlu Yunus^*; Can Hatice

来源：Journal of Molecular Structure, 2013, 1037: 109-115.

DOI：10.1016/j.molstruc.2012.12.043

• Coordination polymer
• Indol-3-butyric acid (MA)
• Silver(I) complex
• NBO analysis

A novel one-dimensional Ag(I) coordination polymer with formula [Ag(IBA)](n) (1) (IBA = indol-3-butyric acid) has been synthesized and structurally characterized by infrared spectroscopy (IR), elemental analysis and single crystal X-ray diffraction techniques. X-ray crystallographic study revealed that 1 crystallizes in monoclinic space group C-2/c with unit cell parameters of a = 25.6863(7) angstrom, b = 7.5837(2) angstrom, c = 10.9065(3) angstrom, beta = 103.296(2)degrees, V = 2067.61(10) angstrom(3) and shows 1D wave-like one-dimensional coordination polymer. In the crystal structure, 10 chains are formed by Ag-2:L-2 dimers connected by argentophilic Ag center dot center dot center dot Ag interactions. The adjacent 1D polymeric chains are further assembled by hydrogen bond (N-H center dot center dot center dot O), Ag center dot center dot center dot C, Ag center dot center dot center dot pi, C-H center dot center dot center dot pi and weak pi center dot center dot center dot pi interactions into a three-dimensional framework. The complex also exhibits the intermolecular pseudo-agostic (IPA) interaction (C-H center dot center dot center dot Ag). The spontaneous formation of the 1D assembly of complex I was investigated with density functional theory (DFT) method.

• 出版日期2013-4-10