Synthesis, Crystal Structure and Vibrational Spectroscopy of NH4[Co（NH3）5（H2O）][B4O5（OH）4]2·6H2O  

作　　者：Lin, Dan You, Xiaoyan Zhu, Lixia 

机构地区：[1]School of Science, Xidian University, Xi'an, Shaanxi 710071, China

出　　处：《Chinese Journal of Chemistry》2011年第3期468-472,共5页中国化学（英文版）

摘　　要：A novel hydrated cobalt tetraborate complex NH4[Co（NH3）5（H2O）] [B4O5（OH）4]2·6H2O, was synthesized by the reaction of NH4-borate aqueous with COC12 and its structure was determined by single crystal X-ray diffraction. The crystal system of this complex is orthorhombic, the space group is Pnma, and the unit cell parameters are a= 1.2901（2） nm, b= 1.6817（3） nm, c= 1.1368（2） nm, α=β=γ=90°, V=2.4742（8） nm3, and Z=4. This compound contains infinite borate layers constructed from [B4O5（OH）4]2 units via hydrogen bonds. The adjacent polyborate anion layers are further linked together with the octahedral [Co（NH3）5（H2O）]3＋ groups through hydrogen bonds to form 3D framework. The NH＋ groups and guest water molecules are deposited in the empty space of this framework and interact with the layers by extensive hydrogen bonds. Infrared and Raman spectra （4000--400 cm l） of NH4[Co（NH3）5（H20）][B4O5（OH）4]2·6H2O were recorded at room temperature and analyzed. Fundamental vibra- tional modes were identified and band assignments were made. The middle band observed at 575 cm^-1in Raman spectrum is the pulse vibration of [B4O5（OH）4]2-.A novel hydrated cobalt tetraborate complex NH4[Co（NH3）5（H2O）] [B4O5（OH）4]2·6H2O, was synthesized by the reaction of NH4-borate aqueous with COC12 and its structure was determined by single crystal X-ray diffraction. The crystal system of this complex is orthorhombic, the space group is Pnma, and the unit cell parameters are a= 1.2901（2） nm, b= 1.6817（3） nm, c= 1.1368（2） nm, α=β=γ=90°, V=2.4742（8） nm3, and Z=4. This compound contains infinite borate layers constructed from [B4O5（OH）4]2 units via hydrogen bonds. The adjacent polyborate anion layers are further linked together with the octahedral [Co（NH3）5（H2O）]3＋ groups through hydrogen bonds to form 3D framework. The NH＋ groups and guest water molecules are deposited in the empty space of this framework and interact with the layers by extensive hydrogen bonds. Infrared and Raman spectra （4000--400 cm l） of NH4[Co（NH3）5（H20）][B4O5（OH）4]2·6H2O were recorded at room temperature and analyzed. Fundamental vibra- tional modes were identified and band assignments were made. The middle band observed at 575 cm^-1in Raman spectrum is the pulse vibration of [B4O5（OH）4]2-.

关 键 词：tetraborate crystal structure transition metal complex vibrational spectroscopy 

分 类 号：O614.121[理学—无机化学] O561.3[理学—化学]