New 1

3 type nickel-bis(dithiolene) salt (FcCHCHPymCH3)[Ni(dmit) 2]3 (dmit: 2-thioxo-1,3-dithiole-4,5-dithiolate): Its electrocrystallization, crystal structure, electrical properties, and electronic band structure analysis

Yoon Kyoung Han, Dong Kyun Seo, Haeyong Kang, Woun Kang, Dong Youn Noh

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

Black single crystals of Ni(dmit)2 complex (dmit: 2-thioxo-1,3-dithiole-4,5-dithiolate) with trans-4-[2-(1-ferrocenyl)-vinyl]-1- methylpyridinium chromophore as a countercation, (FcCHCHPymCH 3)[Ni(dmit)2]3, were prepared by the electrocrystallization technique. In the triclinic structure of the complex (P1, a = 11.430(5) Å, b = 13.349(2) Å, c = 19.355(6) Å, α = 75.15(2)°, β = 79.19(3)°, γ = 82.12(2)°, Z = 2), Ni(dmit)2 anion layers are separated by the cations with a relatively rare 1:3 cation-to-anion ratio. Detailed crystal and electronic structure analysis revealed that the anions are stacked in the layers to form alternating dimers and monomers rather than trimers. The measured electrical conductivity indicates a semiconducting property of the compound with an estimated energy gap of 0.06 eV. The calculated LUMO bands are very narrow, and the semiconducting behavior is more likely due to the electron localization mainly on the dimers, consistent with the observed longer Ni-S bond distances in the dimers.

Original languageEnglish
Pages (from-to)7294-7300
Number of pages7
JournalInorganic Chemistry
Volume43
Issue number23
DOIs
Publication statusPublished - Nov 15 2004

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Nickel
Dimers
Band structure
Anions
Electric properties
Salts
Crystal structure
electrical properties
dimers
nickel
anions
salts
crystal structure
Cations
electronics
cations
Chromophores
trimers
chromophores
Electronic structure

ASJC Scopus subject areas

  • Inorganic Chemistry

Cite this

@article{8519f54cbfd14446a0627f307c739484,
title = "New 1: 3 type nickel-bis(dithiolene) salt (FcCHCHPymCH3)[Ni(dmit) 2]3 (dmit: 2-thioxo-1,3-dithiole-4,5-dithiolate): Its electrocrystallization, crystal structure, electrical properties, and electronic band structure analysis",
abstract = "Black single crystals of Ni(dmit)2 complex (dmit: 2-thioxo-1,3-dithiole-4,5-dithiolate) with trans-4-[2-(1-ferrocenyl)-vinyl]-1- methylpyridinium chromophore as a countercation, (FcCHCHPymCH 3)[Ni(dmit)2]3, were prepared by the electrocrystallization technique. In the triclinic structure of the complex (P1, a = 11.430(5) {\AA}, b = 13.349(2) {\AA}, c = 19.355(6) {\AA}, α = 75.15(2)°, β = 79.19(3)°, γ = 82.12(2)°, Z = 2), Ni(dmit)2 anion layers are separated by the cations with a relatively rare 1:3 cation-to-anion ratio. Detailed crystal and electronic structure analysis revealed that the anions are stacked in the layers to form alternating dimers and monomers rather than trimers. The measured electrical conductivity indicates a semiconducting property of the compound with an estimated energy gap of 0.06 eV. The calculated LUMO bands are very narrow, and the semiconducting behavior is more likely due to the electron localization mainly on the dimers, consistent with the observed longer Ni-S bond distances in the dimers.",
author = "Han, {Yoon Kyoung} and Seo, {Dong Kyun} and Haeyong Kang and Woun Kang and Noh, {Dong Youn}",
year = "2004",
month = "11",
day = "15",
doi = "10.1021/ic0497432",
language = "English",
volume = "43",
pages = "7294--7300",
journal = "Inorganic Chemistry",
issn = "0020-1669",
publisher = "American Chemical Society",
number = "23",

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TY - JOUR

T1 - New 1

T2 - 3 type nickel-bis(dithiolene) salt (FcCHCHPymCH3)[Ni(dmit) 2]3 (dmit: 2-thioxo-1,3-dithiole-4,5-dithiolate): Its electrocrystallization, crystal structure, electrical properties, and electronic band structure analysis

AU - Han, Yoon Kyoung

AU - Seo, Dong Kyun

AU - Kang, Haeyong

AU - Kang, Woun

AU - Noh, Dong Youn

PY - 2004/11/15

Y1 - 2004/11/15

N2 - Black single crystals of Ni(dmit)2 complex (dmit: 2-thioxo-1,3-dithiole-4,5-dithiolate) with trans-4-[2-(1-ferrocenyl)-vinyl]-1- methylpyridinium chromophore as a countercation, (FcCHCHPymCH 3)[Ni(dmit)2]3, were prepared by the electrocrystallization technique. In the triclinic structure of the complex (P1, a = 11.430(5) Å, b = 13.349(2) Å, c = 19.355(6) Å, α = 75.15(2)°, β = 79.19(3)°, γ = 82.12(2)°, Z = 2), Ni(dmit)2 anion layers are separated by the cations with a relatively rare 1:3 cation-to-anion ratio. Detailed crystal and electronic structure analysis revealed that the anions are stacked in the layers to form alternating dimers and monomers rather than trimers. The measured electrical conductivity indicates a semiconducting property of the compound with an estimated energy gap of 0.06 eV. The calculated LUMO bands are very narrow, and the semiconducting behavior is more likely due to the electron localization mainly on the dimers, consistent with the observed longer Ni-S bond distances in the dimers.

AB - Black single crystals of Ni(dmit)2 complex (dmit: 2-thioxo-1,3-dithiole-4,5-dithiolate) with trans-4-[2-(1-ferrocenyl)-vinyl]-1- methylpyridinium chromophore as a countercation, (FcCHCHPymCH 3)[Ni(dmit)2]3, were prepared by the electrocrystallization technique. In the triclinic structure of the complex (P1, a = 11.430(5) Å, b = 13.349(2) Å, c = 19.355(6) Å, α = 75.15(2)°, β = 79.19(3)°, γ = 82.12(2)°, Z = 2), Ni(dmit)2 anion layers are separated by the cations with a relatively rare 1:3 cation-to-anion ratio. Detailed crystal and electronic structure analysis revealed that the anions are stacked in the layers to form alternating dimers and monomers rather than trimers. The measured electrical conductivity indicates a semiconducting property of the compound with an estimated energy gap of 0.06 eV. The calculated LUMO bands are very narrow, and the semiconducting behavior is more likely due to the electron localization mainly on the dimers, consistent with the observed longer Ni-S bond distances in the dimers.

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