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Gd13Fe10C13: Indications of Fe-Fe Multiple Bonding Emerging from Chemical Frustration
Tue, 11/27/2012 - 11:21am — root
| Title | Gd13Fe10C13: Indications of Fe-Fe Multiple Bonding Emerging from Chemical Frustration |
| Publication Type | Journal Article |
| Year of Publication | 2012 |
| Authors | Hadler, AB, Fredrickson, DC |
| Journal | Journal of the American Chemical Society |
| Volume | 134 |
| Pagination | 10361-10364 |
| Date Published | Jun |
| Type of Article | Article |
| ISBN Number | 0002-7863 |
| Accession Number | WOS:000305716700014 |
| Keywords | augmented-wave method, basis-set, boer fr, 1988, journal of magnetism and magnetic materials, v72, p167, complex carbide, crystal-structure, electronic-structure, initio structure, ng hb, 1992, inorganic chemistry, v31, p2289, solid-state, solution, ternary rare-earth, total-energy calculations, transition-metal carbides, ttgen r, 1991, inorganic chemistry, v30, p427 |
| Abstract | We report the synthesis and crystal structure of the carbide Gd13Fe10C13. This compound adopts a new structure type that is remarkable for its "H"-shaped C2FeFeC2 units, which have some of the shortest Fe-Fe contacts known. A bonding analysis using DFT-calibrated Huckel calculations hints that Fe-Fe multiple bonding underlies these short distances. Gd13Fe10C13 undergoes ferromagnetic ordering at similar to 55 K. |
| Short Title | J. Am. Chem. Soc. |
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