Abstract
The new title compound has been synthesized and characterized by physical property measurements and electronic structure calculations. The results ratify the highly uncommon deficiency of one electron that has been long speculated for its Ca3Ga5-type structure on the basis of the simple Zintl electron counting formalism. In the Sr3In5 structure (Cmcm), 4- and 2-bonded indium atoms in a 4:1 ratio form a three-dimensional classical network that encapsulates strontium atoms in its narrow channels. The electrical conductivity of the compound shows typical metallic behavior. The detailed electronic structure analysis suggests that the electron hole is mainly localized on a nonbonding p-orbital on the 2-bonded indium atoms, and that these orbitals, stacked in a σ-type way along a (4.97 Å), interact only weakly with each other to form highly one-dimensional bands.
| Original language | English |
|---|---|
| Pages (from-to) | 4512-4518 |
| Number of pages | 7 |
| Journal | Journal of the American Chemical Society |
| Volume | 123 |
| Issue number | 19 |
| DOIs | |
| Publication status | Published - 2001 |
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ASJC Scopus subject areas
- Chemistry(all)
Cite this
Synthesis, structure, and bonding of open-shell Sr3In5 : An unusual electron deficiency in an indium network, beyond the Zintl boundary. / Seo, Dong Kyun; Corbett, J. D.
In: Journal of the American Chemical Society, Vol. 123, No. 19, 2001, p. 4512-4518.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Synthesis, structure, and bonding of open-shell Sr3In5
T2 - An unusual electron deficiency in an indium network, beyond the Zintl boundary
AU - Seo, Dong Kyun
AU - Corbett, J. D.
PY - 2001
Y1 - 2001
N2 - The new title compound has been synthesized and characterized by physical property measurements and electronic structure calculations. The results ratify the highly uncommon deficiency of one electron that has been long speculated for its Ca3Ga5-type structure on the basis of the simple Zintl electron counting formalism. In the Sr3In5 structure (Cmcm), 4- and 2-bonded indium atoms in a 4:1 ratio form a three-dimensional classical network that encapsulates strontium atoms in its narrow channels. The electrical conductivity of the compound shows typical metallic behavior. The detailed electronic structure analysis suggests that the electron hole is mainly localized on a nonbonding p-orbital on the 2-bonded indium atoms, and that these orbitals, stacked in a σ-type way along a (4.97 Å), interact only weakly with each other to form highly one-dimensional bands.
AB - The new title compound has been synthesized and characterized by physical property measurements and electronic structure calculations. The results ratify the highly uncommon deficiency of one electron that has been long speculated for its Ca3Ga5-type structure on the basis of the simple Zintl electron counting formalism. In the Sr3In5 structure (Cmcm), 4- and 2-bonded indium atoms in a 4:1 ratio form a three-dimensional classical network that encapsulates strontium atoms in its narrow channels. The electrical conductivity of the compound shows typical metallic behavior. The detailed electronic structure analysis suggests that the electron hole is mainly localized on a nonbonding p-orbital on the 2-bonded indium atoms, and that these orbitals, stacked in a σ-type way along a (4.97 Å), interact only weakly with each other to form highly one-dimensional bands.
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U2 - 10.1021/ja0034242
DO - 10.1021/ja0034242
M3 - Article
C2 - 11457237
AN - SCOPUS:0034809365
VL - 123
SP - 4512
EP - 4518
JO - Journal of the American Chemical Society
JF - Journal of the American Chemical Society
SN - 0002-7863
IS - 19
ER -