| Autor: |
Baiwang, Sun, Qihua, Zhao, Daizheng, Liao, Zonghui, Jiang, Shiping, Yan, Genglin, Wang, Xinkan, Yao, Honggen, Wang, Leiguang, Wang, Haijian, Chen |
| Zdroj: |
Science in China. Series B: Chemistry; Feb2000, Vol. 43 Issue 1, p105-112, 8p |
| Abstrakt: |
Dinuclear copper complex with biradicals [Cu(hfac)2]2PhBNM(PhBNM = 2,5-bimethyl-1,4-bis (4,4,5,5-tetramethyllimidazoline-1-oxyl-3-oxide)phenyl,hfac=hexafluoroacetylacetonate) has been synthesized and characterized. It crystallized in the monoclinic system, with space group C2/ c, a=1.9012(4), b=1.3718(3), c=2.1620(4) nm, ß=97.55(3)°, Z=4. The X-ray structure analysis shows that the molecular structure consists of two kinds of conformations. The ratio of them is 7:3. The energy of two conformations, calculated with molecular mechanics, are different, E1=740 kJ/mol, and E2=771 kJ · mol−1. The CNDO/k results on the complex indicate that the orbital energy of low spin state is lower than that of high spin state, which correspond with the results of magnetic measurement. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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