Abstract
Ba2HgS5 was synthesized by cooling a molten mixture of BaS, HgS, and elemental sulfur. It crystallizes in the orthorhombic Pnma space group with a = 12.190(2) Å, b = 8.677(2) Å, c = 8.371(2) Å, and dcalc = 4.77 g cm-3. Its crystal structure consists of isolated dumbbell-shaped (HgS2)2- and v-shaped S3 2- ions. These molecular anions are charge-balanced by Ba2+ cations. Raman spectroscopy shows three strong bands originating from symmetric, asymmetric, and bending vibrational modes of the S 3 2- ions. X-ray photoelectron spectroscopic analysis confirms the presence of the trisulfide species. Ba2HgS5 has a bandgap of ∼2.4 eV. Electronic band structure calculations show that the bandgap is defined essentially by the p-orbitals of the sulfur atoms of the S3 2- group.
| Original language | English |
|---|---|
| Pages (from-to) | 4698-4704 |
| Number of pages | 7 |
| Journal | Inorganic Chemistry |
| Volume | 53 |
| Issue number | 9 |
| DOIs | |
| Publication status | Published - May 5 2014 |
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ASJC Scopus subject areas
- Inorganic Chemistry
- Physical and Theoretical Chemistry
Cite this
Ba2HgS5-A molecular trisulfide salt with dumbbell-like (HgS2)2- ions. / Islam, Saiful M.; Im, Jino; Freeman, Arthur J; Kanatzidis, Mercouri G.
In: Inorganic Chemistry, Vol. 53, No. 9, 05.05.2014, p. 4698-4704.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Ba2HgS5-A molecular trisulfide salt with dumbbell-like (HgS2)2- ions
AU - Islam, Saiful M.
AU - Im, Jino
AU - Freeman, Arthur J
AU - Kanatzidis, Mercouri G
PY - 2014/5/5
Y1 - 2014/5/5
N2 - Ba2HgS5 was synthesized by cooling a molten mixture of BaS, HgS, and elemental sulfur. It crystallizes in the orthorhombic Pnma space group with a = 12.190(2) Å, b = 8.677(2) Å, c = 8.371(2) Å, and dcalc = 4.77 g cm-3. Its crystal structure consists of isolated dumbbell-shaped (HgS2)2- and v-shaped S3 2- ions. These molecular anions are charge-balanced by Ba2+ cations. Raman spectroscopy shows three strong bands originating from symmetric, asymmetric, and bending vibrational modes of the S 3 2- ions. X-ray photoelectron spectroscopic analysis confirms the presence of the trisulfide species. Ba2HgS5 has a bandgap of ∼2.4 eV. Electronic band structure calculations show that the bandgap is defined essentially by the p-orbitals of the sulfur atoms of the S3 2- group.
AB - Ba2HgS5 was synthesized by cooling a molten mixture of BaS, HgS, and elemental sulfur. It crystallizes in the orthorhombic Pnma space group with a = 12.190(2) Å, b = 8.677(2) Å, c = 8.371(2) Å, and dcalc = 4.77 g cm-3. Its crystal structure consists of isolated dumbbell-shaped (HgS2)2- and v-shaped S3 2- ions. These molecular anions are charge-balanced by Ba2+ cations. Raman spectroscopy shows three strong bands originating from symmetric, asymmetric, and bending vibrational modes of the S 3 2- ions. X-ray photoelectron spectroscopic analysis confirms the presence of the trisulfide species. Ba2HgS5 has a bandgap of ∼2.4 eV. Electronic band structure calculations show that the bandgap is defined essentially by the p-orbitals of the sulfur atoms of the S3 2- group.
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U2 - 10.1021/ic500388s
DO - 10.1021/ic500388s
M3 - Article
VL - 53
SP - 4698
EP - 4704
JO - Inorganic Chemistry
JF - Inorganic Chemistry
SN - 0020-1669
IS - 9
ER -