Synthesis and Crystal Structure of Novel Mixed-metal Alkoxide Clusters of Ytterbium and Sodium: Yb4O4(OiPr)16Na12

被引：0
作者：
Wang Hui [1 ,2 ]
Sheng Hong-Ting [1 ,2 ]
Feng Yan [1 ,2 ]
Shi Jian-Hua [1 ,2 ]
He Sen [1 ,2 ]
Sheng Han-Jing [1 ,2 ]
Zhang Yong [3 ]
Shen Qi [3 ]
机构：
[1] Anhui Univ, Sch Chem & Chem Engn, Hefei 230039, Peoples R China
[2] Anhui Univ, Key Lab Environm Friendly Polymer Mat Anhui Prov, Hefei 230039, Peoples R China
[3] Suzhou Univ, Sch Chem & Chem Engn, Key Lab Organ Synth Jiangsu Prov, Suzhou 215123, Peoples R China
来源：
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY | 2013年 / 32卷 / 04期
基金：
中国国家自然科学基金;
关键词：
mixed-metal cluster; ytterbium; alkoxide; crystal structure; computational analysis; EPSILON-CAPROLACTONE; HETEROMETALLIC PRECURSORS; ACTIVE CATALYSTS; LANTHANIDE; YTTRIUM; POLYMERIZATION; COMPLEXES; LN; COPOLYMERIZATION; CHEMISTRY;
D O I：
暂无
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
The mixed-metal cluster Yb4O4(OiPr)(16)Na-12 has been synthesized and structurally determined by IR, elemental analysis, and single-crystal X-ray diffraction. The crystal belongs to the cubic system, space group P23 with a = b = c = 13.9788(3) angstrom, V = 2731.55(10) angstrom(3), Z = 1, D-c = 1.202 g/cm(3), M-r = 1977.42, mu = 3.480 min(-1), F(000) = 972, the final R = 0.0288 and wR = 0.1511 for 1677 observed reflections with I > 2 sigma(I). X-ray analysis reveals that Yb4O4(OiPr)(16)Na-12 is centrosymmetric and the structure contains four ytterbium metals and twelve sodium metals, and each ytterbium atom is coordinated by six oxygen atoms. In addition, an ancillary computational analysis of the optimized molecular unit was provided. The large energy gap (3.31 eV) between HOMO and LUMO indicates that the structure framework is particularly stable.
引用
收藏
页码：571 / 577
页数：7
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