摘要
目的 测定α六硝基六氮杂异伍兹烷(HNIW)的晶体结构方法 按文献提供的方法合成HNIW,在室温下用溶剂缓慢挥发法制得αHNIW的单晶,以X射线衍射仪测定单晶结构结果 晶体αHNIW·05H2O属于正交晶系,空间群为Pbca晶体学参数为:a=095279(7)nm,b=132379(13)nm,c=236400(3)nm,Z=8,V=29823(5)nm3,dc=1992gcm3,dm=1952gcm3结论 αHNIW单晶为水合物。
Aim To determine the crystal structure of α hexanitrohexaazaisowurt zitane(HNIW). Methods HNIW was synthesized and purified according to the reference. Dissolving HNIW in an appropriate solvent followed by evaporating slowly the solvent to a certain extent at room temperature gave the single crystal of α HNIW, and its structure was determined using X ray diffraction technique. Results The crystal belongs to orthorhombic system and space group Pbca with parameters: a = 0 952 79(7) nm, b = 1 323 79(13) nm, c = 2 364 00(3) nm, Z =8, V =2 982 3(5) nm 3, , d c=1 992 g/cm 3, d m=1 952 g/cm 3. Conclusion The obtained single crystal is a hydrate of α HNIW. One mole of α HNIW contains 0 5 mol of water ( α HNIW·0 5H 2O).
出处
《北京理工大学学报》
EI
CAS
CSCD
1999年第5期631-636,共6页
Transactions of Beijing Institute of Technology
关键词
六氮杂异伍兹烷
X射线衍射
晶体结构
HNIW
hexanitrohexaazaisowurtzitane
X-ray diffraction technique
crystal structure
