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Title: Gd 13Fe 10C 13: Indications of Fe-Fe Multiple Bonding Emerging from Chemical Frustration

Abstract

We report the synthesis and crystal structure of the carbide Gd 13Fe 10C 13. This compound adopts a new structure type that is remarkable for its 'H'-shaped C 2FeFeC 2 units, which have some of the shortest Fe-Fe contacts known. A bonding analysis using DFT-calibrated Hueckel calculations hints that Fe-Fe multiple bonding underlies these short distances. Gd 13Fe 10C 13 undergoes ferromagnetic ordering at ~55 K.

Authors:
;  [1]
  1. UW
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Org.:
NSFDOE - BASIC ENERGY SCIENCES
OSTI Identifier:
1045031
Resource Type:
Journal Article
Journal Name:
Journal of the American Chemical Society
Additional Journal Information:
Journal Volume: 134; Journal Issue: (25) ; 06, 2012; Journal ID: ISSN 0002-7863
Publisher:
American Chemical Society (ACS)
Country of Publication:
United States
Language:
ENGLISH
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; BONDING; CARBIDES; CRYSTAL STRUCTURE; SYNTHESIS

Citation Formats

Hadler, Amelia B, and Fredrickson, Daniel C. Gd13Fe10C13: Indications of Fe-Fe Multiple Bonding Emerging from Chemical Frustration. United States: N. p., 2012. Web. doi:10.1021/ja3034944.
Hadler, Amelia B, & Fredrickson, Daniel C. Gd13Fe10C13: Indications of Fe-Fe Multiple Bonding Emerging from Chemical Frustration. United States. doi:10.1021/ja3034944.
Hadler, Amelia B, and Fredrickson, Daniel C. Thu . "Gd13Fe10C13: Indications of Fe-Fe Multiple Bonding Emerging from Chemical Frustration". United States. doi:10.1021/ja3034944.
@article{osti_1045031,
title = {Gd13Fe10C13: Indications of Fe-Fe Multiple Bonding Emerging from Chemical Frustration},
author = {Hadler, Amelia B and Fredrickson, Daniel C},
abstractNote = {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 Hueckel calculations hints that Fe-Fe multiple bonding underlies these short distances. Gd13Fe10C13 undergoes ferromagnetic ordering at ~55 K.},
doi = {10.1021/ja3034944},
journal = {Journal of the American Chemical Society},
issn = {0002-7863},
number = (25) ; 06, 2012,
volume = 134,
place = {United States},
year = {2012},
month = {10}
}