Crystal Structure and Thermal Decomposition Mechanism of [K(DNP)(H2O)0.5]

Autor: Jiang-Chuang Song, Bing Shao, Jian-Guo Zhang, Gui-Xia Ma, Tonglai Zhang, Kai-Bei Yu, Yufeng Li
Rok vydání: 2010
Předmět:
Zdroj: Chinese Journal of Chemistry. 22:131-135
ISSN: 1001-604X
DOI: 10.1002/cjoc.20040220205
Popis: The new coordination polymer, [K(DNP)(H2O)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 C6N2O5.5K, Mr=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) nm3, 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)(H2O)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.
Databáze: OpenAIRE