[Y(NTO)_2NO_3(H_2O)_5]·2H_2O的制备、晶体结构和热分解机理的研究  

Preparation, Crystal Structure and Thermolysis Mechanism of [Y(NTO)_2NO_3(H_2O)_5]·2H_2O

作　　者：宋纪蓉[1] 胡荣祖[2] 李福平[2] 毛治华[3] 周宗华[3] 洪洲[3] 

机构地区：[1]西北大学化工系,西安710069 [2]西安近代化学研究所,西安710065 [3]四川大学化学系及分析测试中心

出　　处：《高等学校化学学报》1997年第5期676-679,共4页Chemical Journal of Chinese Universities

基　　金：火炸药燃烧国防科技重点实验室科技基金

摘　　要：合成了［Y（NTO）2NO3（H2O）5］·2H2O（NTO为3－硝基－1，2，4－三唑－5－酮），并测定了晶体结构，晶体属单斜晶系，空间群Cm，晶胞参数：a＝0．6773（2）urn，b＝20866（2）um，c＝0．6551（1）um；β＝102．98（2）°，V＝0．9021（1）um3，Z＝2，DC＝1．970g·cm-3，μ＝33．49cm-1，F（000）＝54O，R＝0．032．中心Y（Ⅲ）与2个NTO的羰基氧原子、1个NO3的1个氧原子及5个水分子的氧原子配位，形成畸变的十二面体．Y－O键长在0．2283～0．2478um之间．[Y(NTO)2NO3 (H20)5]. 2H2O was prepared by mixing the aqueous solution oflithium 3-nitro-1, 2, 4-triazol-5uonate and the dilute nitric acid solution of yttrium oxide. The single crystal structure was determined by a four-circle X-ray diffractometer. The crystal is monoclinic, space group Cm with crystal parameters of a = 0. 677 3(2) nm, b= 2. 086 6(2)nm, c=0. 655 1(1) nm; β=102. 98(2)°, V=0. 902 1(1) nm3, Z=2, D.=1. 970 g. cm-3,p=33. 49 cm-1, F(000) =540, R=0. 032. The two carbonyls of NTO anion, one NO, and five water molecules are coordinated to Y3+. The coordinate bond lengths are between 0. 228 3 nm and 0. 247 8 nm, so the distorted dodecahedron is formed. Based on the thermal analysis, the thermolysis mechanism of [Y(NTO)2NO3(H20)5]. 2H2O has been derived.

关 键 词：NTO 晶体结构 热分解机理 钇配合物 含能材料 

分 类 号：O614.322[理学—无机化学]