Rigidity/Flexibility Competition in Organic/Iodoargentate Hybrids: A Combined Experimental and Theoretical Study

LI Haohong; XING Yuan-Yuan; GONG Anweng; LIAN Zhaoxun; WU Hongyan; LI Yi; CHEN Zhirong

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Rigidity/Flexibility Competition in Organic/Iodoargentate Hybrids: A Combined Experimental and Theoretical Study

LI Haohong 1 #,XING Yuan-Yuan 1,GONG Anweng 1,LIAN Zhaoxun 2,WU Hongyan 1,LI Yi 1,CHEN Zhirong 1 *

1.College of Chemistry and Chemical Engineering, Fuzhou University, Fuzhou, Fujian, 350108, P. R. China

2.School of Chemistry and Chemical Engineering, Henan Institute of Science and Technology, Xinxiang, Henan, 453003, P. R. China

*Correspondence author

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Funding: National Natural Science Foundation of China （No.NOS: 21271043), Specialized Research Fund for the Doctoral Program of Higher Education of Chin）

Opened online:24 December 2012

Accepted by: none

Citation: LI Haohong,XING Yuan-Yuan,GONG Anweng.Rigidity/Flexibility Competition in Organic/Iodoargentate Hybrids: A Combined Experimental and Theoretical Study[OL]. [24 December 2012] http://en.paper.edu.cn/en_releasepaper/content/4500380

We extend our effort to investigate the influence of ligand spacers on the iodoargentate hybrids templated by cationic SDAs [structure-directing agents, BPB2+ (1,4-bis(pyridinium)butane), BPO2+ (1,8-bis(pyridinium)octane)] possessing both rigidity and flexibility, and two iodoargentate hybrids [(BPB)(Ag5I7)]n (1), [(BPO)(Ag5I7)]n (2) have been synthesized in polar organic solvents. 1 exbhits 3-D network with BPB2+ cations being trapped in the 3-D (Ag5I7)n2- cavities, and 2 is one-dimensional infinite polymeric anions accompanied by discrete SDA cations. Interestingly, judging from struactual analysis and DFT calculaitons, we find that the rigidity/flexibility competition will achieve a balance when ligand spacer n is 4, where the most versatile structure and stable comfirmation can be presented. Their adsorption and fluorescent spectra are also discussed.

Keywords:Organic/Iodoargentate Hybrids; Rigidity/Flexibility Competition; DFT Calculations

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