引用本文:
陈虎, 许兴友, 高健, 杨绪杰, 陆路德, 汪信. 高氯酸化三邻菲啰啉合镍晶体结构研究[J]. 物理化学学报,
2006, 22(07): 856-859.
doi:
10.3866/PKU.WHXB20060717
Citation: CHEN Hu, XU Xing-You, GAO Jian, YANG Xu-Jie, LU Lu-De, WANG Xin. Study on Crystal Structure of [Ni(phen)3](ClO4)2[J]. Acta Physico-Chimica Sinica, 2006, 22(07): 856-859. doi: 10.3866/PKU.WHXB20060717
Citation: CHEN Hu, XU Xing-You, GAO Jian, YANG Xu-Jie, LU Lu-De, WANG Xin. Study on Crystal Structure of [Ni(phen)3](ClO4)2[J]. Acta Physico-Chimica Sinica, 2006, 22(07): 856-859. doi: 10.3866/PKU.WHXB20060717
高氯酸化三邻菲啰啉合镍晶体结构研究
摘要:
用Ni(ClO4)2合成了高氯酸阴离子和三邻菲啰啉合镍阳离子组成的盐晶体, 晶体结构由X射线衍射确定. 晶体属P21/n空间群, a=0.9388(2) nm, b=3.0139(5) nm, c=1.2974(2) nm, β=111.054(3)º, V=3.426(1) nm3. 采用hyperchem程序包的半经验方法ZINDO/1计算了该配合物的最优化结构, 原子电荷分布很好地佐证了晶体结构的配位环境.
English
Study on Crystal Structure of [Ni(phen)3](ClO4)2
Abstract:
A new complex [Ni(phen)3](ClO4)2 was synthesized by transition metal Ni2+ with phen(1,10-phenanthroline). The crystal structure of the complex was determined by X-ray diffraction. The complex crystalizes in monoclinic system, space group P21/n with a=0.9388(2) nm, b=3.0139(5) nm, c=1.2974(2) nm, β=111.054(3)º, V=3.426(1) nm3. Quantum chemistry calculation was performed to the complex by using semi-empirical method with ZINDO/1 of hyperchem 7.0 program package. The optimized structure has been investigated. Atomic charge distribution results provided a od testimony for the coordination condition in the crystal structure.
扫一扫看文章
计量
- PDF下载量: 3831
- 文章访问数: 5026
- HTML全文浏览量: 78
下载:
