Flux Synthesis of a Metal Carbide Hydride Using Anthracene As a Reactant

Engstrand, Tate O.; Cope, Emily M.; Vasquez, Guillermo; Haddock, Jo W.; Hertz, Mary B.; Wang, Xiaoping; Latturner, Susan E.

doi:10.1021/acs.inorgchem.0c01505

Title: Flux Synthesis of a Metal Carbide Hydride Using Anthracene As a Reactant

Journal Article · Tue Aug 04 00:00:00 EDT 2020 · Inorganic Chemistry

DOI:https://doi.org/10.1021/acs.inorgchem.0c01505· OSTI ID:1771895

Engstrand, Tate O. ^[1]; Cope, Emily M. ^[1]; Vasquez, Guillermo ^[1]; Haddock, Jo W. ^[1]; Hertz, Mary B. ^[1];

^[2];

^[1]

Florida State Univ., Tallahassee, FL (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

In this study, La₁₅(FeC₆)₄H was synthesized from the reaction of iron and anthracene in La/Ni eutectic flux. Anthracene was the source of both the carbon and hydrogen in the product. The structure of this metal carbide hydride features hydride ions in tetrahedral interstitial sites surrounded by lanthanum ions, which was confirmed by single-crystal neutron diffraction studies. The trigonal planar FeC₆ units in which the central iron atom is coordinated by three ethylenide groups are similar to those found in La_3.67FeC₆, a previously reported compound that is formed in the absence of a hydride source. Magnetic susceptibility data confirm that the iron sites do not have magnetic moments. Density of states calculations indicate that La₁₅(FeC₆)₄H is metallic and is stabilized by the incorporation of hydride anions.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)

Grant/Contract Number:: AC05-00OR22725; DMR-1808471

OSTI ID:: 1771895

Journal Information:: Inorganic Chemistry, Vol. 59, Issue 16; ISSN 0020-1669

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
hydrocarbons
inorganic carbon compounds
anions
metals
fluxes

Title: Flux Synthesis of a Metal Carbide Hydride Using Anthracene As a Reactant

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