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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

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
Authors
Han Y.-K.Seo D.-K.Kang H.Kang W.Noh D.-Y.
Ewha Authors
강원
SCOPUS Author ID
강원scopus
Issue Date
2004
Journal Title
Inorganic Chemistry
ISSN
0020-1669JCR Link
Citation
Inorganic Chemistry vol. 43, no. 23, pp. 7294 - 7300
Indexed
SCIE; SCOPUS WOS scopus
Document Type
Article
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.
DOI
10.1021/ic0497432
Appears in Collections:
자연과학대학 > 물리학전공 > Journal papers
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