Volume 18, Issue 58 (No.3&4-صفحات انگلیسی از 13 تا 73 2004)
2004, 18(58): 46-55 |
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A New Method of Preparation, Abinitio Calculation and Description of Infrared Spectrum of [Fe3O(AcO)6(H2O)3]+. Journal title 2004; 18 (58) :46-55
URL: http://jsci.khu.ac.ir/article-1-1137-en.html
URL: http://jsci.khu.ac.ir/article-1-1137-en.html
Abstract: (5951 Views)
The complex [Fe3O(AcO)6(H2O)3]+ was prepared by treating 1, 3, 5-trimethy l-2, 4, 6-trioxane with FeCl3. 6H2O in the presence of sodium metal. The structure of this complex was calculated by abinitio method as a Hexagonal skeleton with bridging - acetate ion. Based on this calculation D3h symmetry for the central Fe3O unit, and C2v symmetry for trans- Fe O'O"O4 - units chelated on iron ions around the three centred nuclei, are proposed. Combination vibration of these two units resulted in explanation and charactrization of IR spectrum of this compound.
Keywords: acetate ion. Based on this calculation
Published: 2004/08/15
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