| 王小峰,廖碧波.氮氧双自由基的合成与晶体结构[J].南华大学学报(自然科学版),2009,23(3):53~57.[WANG Xiao-feng,LIAO Bi-bo.Synthesis and Crystal Structure of a Novel Nitronyl Nitroxide Diradical[J].Journal of University of South China(Science and Technology),2009,23(3):53~57.] |
| 氮氧双自由基的合成与晶体结构 |
| Synthesis and Crystal Structure of a Novel Nitronyl Nitroxide Diradical |
| 投稿时间：2009-03-22 |
| DOI： |
| 中文关键词: 氮氧双自由基 合成 晶体结构 |
| 英文关键词:diradical synthesis crystal structure |
| 基金项目:南华大学启动基金资助项目(5-03-XJQ-03.0392005) |
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| 中文摘要: |
| 成功合成了一个新的稳定的有机磁体化合物氮氧双自由基DNNPhDMe,对其进行了红外、顺磁共振及X-射线单晶结构表征.该化合物结晶于单斜晶系，P21/c空间群，其晶体学参数为：Mr=420.55,a=0.613 7(4) nm,b=1.766 2(12) nm,c=1.048 0(7) nm,β=93.581(12)°,V=1.133 7(13) nm3,Z=2,Dc=1.232 g/cm3,μ=0.523 mm-1,F(000)=456.化合物的结构由直接法解出，用基于F2的全矩阵最小二乘法校正.最终可靠因子为R1=0.058 8,wR2=0.132 4.该化合物通过氢键形成三维超分子结构. |
| 英文摘要: |
| A novel nitronyl nitroxide diradical has been synthesized and characterized by FTIR,ESR and X-ray single crystal diffraction.The crystal belongs to Monoclinic,space group P21/c with Mr=420.55,a=0.613 7(4) nm,b=1.766 2(12) nm,c=1.048 0(7) nm,β=93.581(12)°,V=1.133 7(13) nm3,Z=2,Dc=1.232 g/cm3,μ=0.523 mm-1,F(000)=456.The structure was solved by direct method and refined by block-matrix least-squares techniques to the final R1=0.058 8 and wR2=0.132 4.Through hydrogen bond,compound formed three dimension supra-molecule network. |
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