Ba3TM2Se9 (TM = Nb, Ta): Synthesis and characterization of new polyselenides

Ming Yan Chung; Chi-Shen Lee

doi:10.1021/ic4013763

Ba₃TM₂Se₉ (TM = Nb, Ta): Synthesis and characterization of new polyselenides

Ming Yan Chung, Chi-Shen Lee^*

^*Corresponding author for this work

Department of Applied Chemistry

Research output: Contribution to journal › Article › peer-review

4 Scopus citations

Abstract

New ternary polyselenides Ba₃TM₂Se₉ (TM = Nb, Ta) were synthesized through a solid-state reaction, and their structures were characterized using single-crystal X-ray diffraction. These compounds crystallized into a new structural type with a monoclinic space group P2 ₁/c. The structures were constructed from distorted, close-packed layers of ∞³[BaSe₃]^3.33- that incorporated TM atoms at octahedral sites and contained [(TM⁵⁺) ₂(Se^2-)₇(Se₂ ^2-)] units. Diffuse reflectance spectra and electronic resistivity measurements indicated semiconducting properties and optical band gaps of 1.3 eV for Ba ₃Nb₂Se₉ and 1.6 eV for Ba₃Ta ₂Se₉. Raman spectra were used to investigate the interatomic interactions. Calculations of the electronic structure verified the semiconducting behavior and bonding interaction of short Se-Se contacts.

Original language	English
Pages (from-to)	80-84
Number of pages	5
Journal	Inorganic Chemistry
Volume	53
Issue number	1
DOIs	https://doi.org/10.1021/ic4013763
State	Published - 6 Jan 2014

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title = "Ba3TM2Se9 (TM = Nb, Ta): Synthesis and characterization of new polyselenides",

abstract = "New ternary polyselenides Ba3TM2Se9 (TM = Nb, Ta) were synthesized through a solid-state reaction, and their structures were characterized using single-crystal X-ray diffraction. These compounds crystallized into a new structural type with a monoclinic space group P2 1/c. The structures were constructed from distorted, close-packed layers of ∞3[BaSe3]3.33- that incorporated TM atoms at octahedral sites and contained [(TM5+) 2(Se2-)7(Se2 2-)] units. Diffuse reflectance spectra and electronic resistivity measurements indicated semiconducting properties and optical band gaps of 1.3 eV for Ba 3Nb2Se9 and 1.6 eV for Ba3Ta 2Se9. Raman spectra were used to investigate the interatomic interactions. Calculations of the electronic structure verified the semiconducting behavior and bonding interaction of short Se-Se contacts.",

author = "Chung, {Ming Yan} and Chi-Shen Lee",

year = "2014",

month = jan,

day = "6",

doi = "10.1021/ic4013763",

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pages = "80--84",

journal = "Inorganic Chemistry",

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TY - JOUR

T1 - Ba3TM2Se9 (TM = Nb, Ta)

T2 - Synthesis and characterization of new polyselenides

AU - Chung, Ming Yan

AU - Lee, Chi-Shen

PY - 2014/1/6

Y1 - 2014/1/6

N2 - New ternary polyselenides Ba3TM2Se9 (TM = Nb, Ta) were synthesized through a solid-state reaction, and their structures were characterized using single-crystal X-ray diffraction. These compounds crystallized into a new structural type with a monoclinic space group P2 1/c. The structures were constructed from distorted, close-packed layers of ∞3[BaSe3]3.33- that incorporated TM atoms at octahedral sites and contained [(TM5+) 2(Se2-)7(Se2 2-)] units. Diffuse reflectance spectra and electronic resistivity measurements indicated semiconducting properties and optical band gaps of 1.3 eV for Ba 3Nb2Se9 and 1.6 eV for Ba3Ta 2Se9. Raman spectra were used to investigate the interatomic interactions. Calculations of the electronic structure verified the semiconducting behavior and bonding interaction of short Se-Se contacts.

AB - New ternary polyselenides Ba3TM2Se9 (TM = Nb, Ta) were synthesized through a solid-state reaction, and their structures were characterized using single-crystal X-ray diffraction. These compounds crystallized into a new structural type with a monoclinic space group P2 1/c. The structures were constructed from distorted, close-packed layers of ∞3[BaSe3]3.33- that incorporated TM atoms at octahedral sites and contained [(TM5+) 2(Se2-)7(Se2 2-)] units. Diffuse reflectance spectra and electronic resistivity measurements indicated semiconducting properties and optical band gaps of 1.3 eV for Ba 3Nb2Se9 and 1.6 eV for Ba3Ta 2Se9. Raman spectra were used to investigate the interatomic interactions. Calculations of the electronic structure verified the semiconducting behavior and bonding interaction of short Se-Se contacts.

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JO - Inorganic Chemistry

JF - Inorganic Chemistry

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Ba₃TM₂Se₉ (TM = Nb, Ta): Synthesis and characterization of new polyselenides

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