Abstract
The title phases are obtained in high yield from the reactions of stoichiometric quantities of Y, YI3, and graphite at 850-950°C in welded Nb containers. The crystal structures of the two phases determined by standard X-ray diffraction means are related to those published for Er4I3 and Er6I7 (C2/m, Z = 2, a = 18.479 (6) and 21.557 (8) Å, b = 3.947 (1) and 3.909 (1) Å, c = 8.472 (3) and 12.374 (6) Å, β = 103.22 (4) and 123.55 (3)°, R/Rw = 4.6/5.4 and 3.2/3.7% for Y4I5C and Y6I7C2, respectively). The two compounds contain infinite single and double chains of carbon-centered yttrium octahedra, respectively, condensed by edge-sharing and sheathed by edge-bridging iodine atoms together with square-planar iodine atoms that bridge between chains. Extended Hückel MO band calculations were carried out for the empty and the carbon-centered compounds in both structures. Metal-based bands near EF in the empty chains exhibit characteristic strong interactions with carbon valence orbitals that generate low-lying valence bands. EF in both cases falls within a broad, metal-based conduction band. Resistivity and magnetic susceptibility measurements on Y6I7C2 support the predicted metallic character.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 1791-1797 |
| Number of pages | 7 |
| Journal | Inorganic Chemistry |
| Volume | 27 |
| Issue number | 10 |
| State | Published - 1988 |
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ASJC Scopus subject areas
- Inorganic Chemistry
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Two extended metal chain compounds, Y4I5C and Y6I7C2. Synthesis, structure, properties, and bonding. / Kauzlarich, Susan M.; Hughbanks, Timothy; Corbett, John D.; Klavins, Peter; Shelton, Robert N.
In: Inorganic Chemistry, Vol. 27, No. 10, 1988, p. 1791-1797.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Two extended metal chain compounds, Y4I5C and Y6I7C2. Synthesis, structure, properties, and bonding
AU - Kauzlarich, Susan M.
AU - Hughbanks, Timothy
AU - Corbett, John D.
AU - Klavins, Peter
AU - Shelton, Robert N.
PY - 1988
Y1 - 1988
N2 - The title phases are obtained in high yield from the reactions of stoichiometric quantities of Y, YI3, and graphite at 850-950°C in welded Nb containers. The crystal structures of the two phases determined by standard X-ray diffraction means are related to those published for Er4I3 and Er6I7 (C2/m, Z = 2, a = 18.479 (6) and 21.557 (8) Å, b = 3.947 (1) and 3.909 (1) Å, c = 8.472 (3) and 12.374 (6) Å, β = 103.22 (4) and 123.55 (3)°, R/Rw = 4.6/5.4 and 3.2/3.7% for Y4I5C and Y6I7C2, respectively). The two compounds contain infinite single and double chains of carbon-centered yttrium octahedra, respectively, condensed by edge-sharing and sheathed by edge-bridging iodine atoms together with square-planar iodine atoms that bridge between chains. Extended Hückel MO band calculations were carried out for the empty and the carbon-centered compounds in both structures. Metal-based bands near EF in the empty chains exhibit characteristic strong interactions with carbon valence orbitals that generate low-lying valence bands. EF in both cases falls within a broad, metal-based conduction band. Resistivity and magnetic susceptibility measurements on Y6I7C2 support the predicted metallic character.
AB - The title phases are obtained in high yield from the reactions of stoichiometric quantities of Y, YI3, and graphite at 850-950°C in welded Nb containers. The crystal structures of the two phases determined by standard X-ray diffraction means are related to those published for Er4I3 and Er6I7 (C2/m, Z = 2, a = 18.479 (6) and 21.557 (8) Å, b = 3.947 (1) and 3.909 (1) Å, c = 8.472 (3) and 12.374 (6) Å, β = 103.22 (4) and 123.55 (3)°, R/Rw = 4.6/5.4 and 3.2/3.7% for Y4I5C and Y6I7C2, respectively). The two compounds contain infinite single and double chains of carbon-centered yttrium octahedra, respectively, condensed by edge-sharing and sheathed by edge-bridging iodine atoms together with square-planar iodine atoms that bridge between chains. Extended Hückel MO band calculations were carried out for the empty and the carbon-centered compounds in both structures. Metal-based bands near EF in the empty chains exhibit characteristic strong interactions with carbon valence orbitals that generate low-lying valence bands. EF in both cases falls within a broad, metal-based conduction band. Resistivity and magnetic susceptibility measurements on Y6I7C2 support the predicted metallic character.
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M3 - Article
AN - SCOPUS:4243848354
VL - 27
SP - 1791
EP - 1797
JO - Inorganic Chemistry
JF - Inorganic Chemistry
SN - 0020-1669
IS - 10
ER -