期刊论文

Synthesis and Crystal Structure of a Novel Nitronyl Nitroxide Diradical

中文

南华大学学报(自然科学版)

1673-0062

2009

23

3

53-57

10.19431/j.cnki.1673-0062.2009.03.013

(5-03-XJQ-03.0392005):南华大学启动基金资助项目

本校为第一机构

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.

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,13 =93.581（12）°,V = 1. 133 7（13） nm^3,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...