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Crystal Structure and Thermal Decomposition Mechanism of [K(DNP)(H 2 O) 0.5 ]
Author(s) -
Ma GuiXia,
Zhang TongLai,
Zhang JianGuo,
Shao Bing,
Li YuFeng,
Song JiangChuang,
Yu KaiBei
Publication year - 2004
Publication title -
chinese journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.28
H-Index - 41
eISSN - 1614-7065
pISSN - 1001-604X
DOI - 10.1002/cjoc.20040220205
Subject(s) - chemistry , monoclinic crystal system , thermal decomposition , crystal structure , crystallography , potassium , coordination polymer , ion , coordination number , inorganic chemistry , organic chemistry
The new coordination polymer, [K(DNP)(H 2 O) 0.5 ] n (DNP=2, 4‐dinitrophenol) was prepared by the reaction of 2,4‐dinitrophenol with potassium hydroxide. The molecular structure was determined by X‐ray single‐crystal diffraction analysis, FT‐IR techniques, and elemental analysis. The crystal is monoclinic, space group C(2)/c with the empirical formula of C 6 N 2 O 5.5 K, M r =231.21. The unit cell parameters are as follows: a =2.0789(3) nm, b= 1.2311(2) nm. c =0.7203(1) nm. β=109.611(15)°, V=1.7366(4) nm 3 , Z=4. 0, = 1.769 g/cm3, F(000)=936, μ (Mo Kα) =0.617 mm −1 . The potassium ions coordinate with all the oxygen atoms of phenolic hydroxyl group and nitro‐group of different 2,4‐dinitrophenol (DNP) ligands with high coordination number, and form a god cross‐linked three‐dimensional net structure of which makes the complex with god stabilities. The thermal decomposition of [K(DNP)(H 2 O) 0.5 ] n has only an intense exothermic process in the temperature range of 338–343 °C corresponding to a mass loss of 75.029s. The final decomposition residue is potassium isocyanide.