Copper halide-bridged ruthenium telluride carbonyl complexes: Discovery of the semiconducting cluster chain polymer {[PPh4]2[Te 2Ru4(CO)10Cu4Br2Cl 2]·THF∞

Minghuey Shieh, Miao Hsing Hsu, Wen Shyan Sheu, Li Fing Jang, Shu Fen Lin, Yen Yi Chu, Chia Yeh Miu, Yun Wen Lai, Hsiang Lin Liu, Jim Long Her

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Abstract

A new series of Te-Ru-Cu carbonyl complexes was prepared by the reaction of K2TeO3 with [Ru3(CO)12] in MeOH followed by treatment with PPh4X (X = Br, Cl) and [Cu(MeCN) 4]BF4 or CuX (X = Br, C1) in MeCN. When the reaction mixture of K2TeO3 and [Ru3(CO)12] was first treated with PPh4X followed by the addition of [Cu(MeCN)4]BF4, doubly CuX-bridged Te2Ru 4-based octahedral clusters [PPh4]2[Te 2Ru4(CO)10Cu2X2] (X = Br, [PPh4]2[1]; X = Cl, [PPh4J2P]) were obtained. When the reaction mixture of K2TeO3 and [Ru3(CO)12] was treated with PPh4X (X = Br, Cl) followed by the addition of CuX (X = Br, Cl), three different types of CuX-bridged Te-Ru carbonyl clusters were obtained. While the addition of PPh4Br or PPh4Cl followed by CuBr produced the doubly CuBr-bridged cluster 1, the addition of PPh4Cl followed by CuCl led to the formation of the Cu4Cl2bridged bis-TeRu 5-based octahedral cluster compound [PPh4] 2[{TeRu5(CO)14}2Cu 4Cl2] ([PPh4]2[3]). On the other hand, when the reaction mixture of K2TeO3 and [Ru 3(CO)12] was treated with PPh4Br followed by the addition of CuCl, the Cu(Br)CuCl-bridged Te2Ru4-based octahedral cluster chain polymer {[PPh4]2(Te2Ru 4(CO)10-Cu4Br2Cl2)THFL ({[PPh4]2[4]·[THF)∞) was produced. The chain polymer {[PPh4]2;[4]·THF)· is the first ternary Te-Ru-Cu cluster and shows semiconducting behavior with a small energy gap of about 0.37 eV. It can be rationalized as resulting from aggregation of doubly CuX-bridged clusters 1 and 2 with two equivalents of CuCl or CuBr, respectively. The nature of clusters 1-4 and the formation and semiconducting properties of the polymer of 4 were further examined by molecular orbital calculations at the B3LYP level of density functional theory.

Original languageEnglish
Pages (from-to)6605-6616
Number of pages12
JournalChemistry - A European Journal
Volume13
Issue number23
DOIs
Publication statusPublished - 2007 Aug 14

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Ruthenium
Carbon Monoxide
Copper
Polymers
Orbital calculations
Molecular orbitals
Density functional theory
Energy gap
Agglomeration

Keywords

  • Carbonyl ligands
  • Cluster compounds
  • Copper
  • Ruthenium
  • Tellurium

ASJC Scopus subject areas

  • Catalysis
  • Organic Chemistry

Cite this

Copper halide-bridged ruthenium telluride carbonyl complexes : Discovery of the semiconducting cluster chain polymer {[PPh4]2[Te 2Ru4(CO)10Cu4Br2Cl 2]·THF∞. / Shieh, Minghuey; Hsu, Miao Hsing; Sheu, Wen Shyan; Jang, Li Fing; Lin, Shu Fen; Chu, Yen Yi; Miu, Chia Yeh; Lai, Yun Wen; Liu, Hsiang Lin; Her, Jim Long.

In: Chemistry - A European Journal, Vol. 13, No. 23, 14.08.2007, p. 6605-6616.

Research output: Contribution to journalArticle

Shieh, Minghuey ; Hsu, Miao Hsing ; Sheu, Wen Shyan ; Jang, Li Fing ; Lin, Shu Fen ; Chu, Yen Yi ; Miu, Chia Yeh ; Lai, Yun Wen ; Liu, Hsiang Lin ; Her, Jim Long. / Copper halide-bridged ruthenium telluride carbonyl complexes : Discovery of the semiconducting cluster chain polymer {[PPh4]2[Te 2Ru4(CO)10Cu4Br2Cl 2]·THF∞. In: Chemistry - A European Journal. 2007 ; Vol. 13, No. 23. pp. 6605-6616.
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title = "Copper halide-bridged ruthenium telluride carbonyl complexes: Discovery of the semiconducting cluster chain polymer {[PPh4]2[Te 2Ru4(CO)10Cu4Br2Cl 2]·THF∞",
abstract = "A new series of Te-Ru-Cu carbonyl complexes was prepared by the reaction of K2TeO3 with [Ru3(CO)12] in MeOH followed by treatment with PPh4X (X = Br, Cl) and [Cu(MeCN) 4]BF4 or CuX (X = Br, C1) in MeCN. When the reaction mixture of K2TeO3 and [Ru3(CO)12] was first treated with PPh4X followed by the addition of [Cu(MeCN)4]BF4, doubly CuX-bridged Te2Ru 4-based octahedral clusters [PPh4]2[Te 2Ru4(CO)10Cu2X2] (X = Br, [PPh4]2[1]; X = Cl, [PPh4J2P]) were obtained. When the reaction mixture of K2TeO3 and [Ru3(CO)12] was treated with PPh4X (X = Br, Cl) followed by the addition of CuX (X = Br, Cl), three different types of CuX-bridged Te-Ru carbonyl clusters were obtained. While the addition of PPh4Br or PPh4Cl followed by CuBr produced the doubly CuBr-bridged cluster 1, the addition of PPh4Cl followed by CuCl led to the formation of the Cu4Cl2bridged bis-TeRu 5-based octahedral cluster compound [PPh4] 2[{TeRu5(CO)14}2Cu 4Cl2] ([PPh4]2[3]). On the other hand, when the reaction mixture of K2TeO3 and [Ru 3(CO)12] was treated with PPh4Br followed by the addition of CuCl, the Cu(Br)CuCl-bridged Te2Ru4-based octahedral cluster chain polymer {[PPh4]2(Te2Ru 4(CO)10-Cu4Br2Cl2)THFL ({[PPh4]2[4]·[THF)∞) was produced. The chain polymer {[PPh4]2;[4]·THF)· is the first ternary Te-Ru-Cu cluster and shows semiconducting behavior with a small energy gap of about 0.37 eV. It can be rationalized as resulting from aggregation of doubly CuX-bridged clusters 1 and 2 with two equivalents of CuCl or CuBr, respectively. The nature of clusters 1-4 and the formation and semiconducting properties of the polymer of 4 were further examined by molecular orbital calculations at the B3LYP level of density functional theory.",
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author = "Minghuey Shieh and Hsu, {Miao Hsing} and Sheu, {Wen Shyan} and Jang, {Li Fing} and Lin, {Shu Fen} and Chu, {Yen Yi} and Miu, {Chia Yeh} and Lai, {Yun Wen} and Liu, {Hsiang Lin} and Her, {Jim Long}",
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language = "English",
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TY - JOUR

T1 - Copper halide-bridged ruthenium telluride carbonyl complexes

T2 - Discovery of the semiconducting cluster chain polymer {[PPh4]2[Te 2Ru4(CO)10Cu4Br2Cl 2]·THF∞

AU - Shieh, Minghuey

AU - Hsu, Miao Hsing

AU - Sheu, Wen Shyan

AU - Jang, Li Fing

AU - Lin, Shu Fen

AU - Chu, Yen Yi

AU - Miu, Chia Yeh

AU - Lai, Yun Wen

AU - Liu, Hsiang Lin

AU - Her, Jim Long

PY - 2007/8/14

Y1 - 2007/8/14

N2 - A new series of Te-Ru-Cu carbonyl complexes was prepared by the reaction of K2TeO3 with [Ru3(CO)12] in MeOH followed by treatment with PPh4X (X = Br, Cl) and [Cu(MeCN) 4]BF4 or CuX (X = Br, C1) in MeCN. When the reaction mixture of K2TeO3 and [Ru3(CO)12] was first treated with PPh4X followed by the addition of [Cu(MeCN)4]BF4, doubly CuX-bridged Te2Ru 4-based octahedral clusters [PPh4]2[Te 2Ru4(CO)10Cu2X2] (X = Br, [PPh4]2[1]; X = Cl, [PPh4J2P]) were obtained. When the reaction mixture of K2TeO3 and [Ru3(CO)12] was treated with PPh4X (X = Br, Cl) followed by the addition of CuX (X = Br, Cl), three different types of CuX-bridged Te-Ru carbonyl clusters were obtained. While the addition of PPh4Br or PPh4Cl followed by CuBr produced the doubly CuBr-bridged cluster 1, the addition of PPh4Cl followed by CuCl led to the formation of the Cu4Cl2bridged bis-TeRu 5-based octahedral cluster compound [PPh4] 2[{TeRu5(CO)14}2Cu 4Cl2] ([PPh4]2[3]). On the other hand, when the reaction mixture of K2TeO3 and [Ru 3(CO)12] was treated with PPh4Br followed by the addition of CuCl, the Cu(Br)CuCl-bridged Te2Ru4-based octahedral cluster chain polymer {[PPh4]2(Te2Ru 4(CO)10-Cu4Br2Cl2)THFL ({[PPh4]2[4]·[THF)∞) was produced. The chain polymer {[PPh4]2;[4]·THF)· is the first ternary Te-Ru-Cu cluster and shows semiconducting behavior with a small energy gap of about 0.37 eV. It can be rationalized as resulting from aggregation of doubly CuX-bridged clusters 1 and 2 with two equivalents of CuCl or CuBr, respectively. The nature of clusters 1-4 and the formation and semiconducting properties of the polymer of 4 were further examined by molecular orbital calculations at the B3LYP level of density functional theory.

AB - A new series of Te-Ru-Cu carbonyl complexes was prepared by the reaction of K2TeO3 with [Ru3(CO)12] in MeOH followed by treatment with PPh4X (X = Br, Cl) and [Cu(MeCN) 4]BF4 or CuX (X = Br, C1) in MeCN. When the reaction mixture of K2TeO3 and [Ru3(CO)12] was first treated with PPh4X followed by the addition of [Cu(MeCN)4]BF4, doubly CuX-bridged Te2Ru 4-based octahedral clusters [PPh4]2[Te 2Ru4(CO)10Cu2X2] (X = Br, [PPh4]2[1]; X = Cl, [PPh4J2P]) were obtained. When the reaction mixture of K2TeO3 and [Ru3(CO)12] was treated with PPh4X (X = Br, Cl) followed by the addition of CuX (X = Br, Cl), three different types of CuX-bridged Te-Ru carbonyl clusters were obtained. While the addition of PPh4Br or PPh4Cl followed by CuBr produced the doubly CuBr-bridged cluster 1, the addition of PPh4Cl followed by CuCl led to the formation of the Cu4Cl2bridged bis-TeRu 5-based octahedral cluster compound [PPh4] 2[{TeRu5(CO)14}2Cu 4Cl2] ([PPh4]2[3]). On the other hand, when the reaction mixture of K2TeO3 and [Ru 3(CO)12] was treated with PPh4Br followed by the addition of CuCl, the Cu(Br)CuCl-bridged Te2Ru4-based octahedral cluster chain polymer {[PPh4]2(Te2Ru 4(CO)10-Cu4Br2Cl2)THFL ({[PPh4]2[4]·[THF)∞) was produced. The chain polymer {[PPh4]2;[4]·THF)· is the first ternary Te-Ru-Cu cluster and shows semiconducting behavior with a small energy gap of about 0.37 eV. It can be rationalized as resulting from aggregation of doubly CuX-bridged clusters 1 and 2 with two equivalents of CuCl or CuBr, respectively. The nature of clusters 1-4 and the formation and semiconducting properties of the polymer of 4 were further examined by molecular orbital calculations at the B3LYP level of density functional theory.

KW - Carbonyl ligands

KW - Cluster compounds

KW - Copper

KW - Ruthenium

KW - Tellurium

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