Insight into weakly antiferromagnetic coupling behavior in a non-integer oxidation state bis(2-thioxo-1,3-dithiole-4,5-dithiolate)nickelate molecular semiconductor

Wan Wan Yao; Lei Xu; Xiao Yi Xu; Jian Lan Liu; Zheng Fang Tian; Xiao Ming Ren

doi:10.1016/j.inoche.2022.109833

Insight into weakly antiferromagnetic coupling behavior in a non-integer oxidation state bis(2-thioxo-1,3-dithiole-4,5-dithiolate)nickelate molecular semiconductor

Wan Wan Yao, Lei Xu, Xiao Yi Xu, Jian Lan Liu, Zheng Fang Tian, Xiao Ming Ren

School of Chemistry and Moleculai Engineering

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

Abstract

In this study, we prepared a salt, (ImH)[Ni(dmit)₂]₂ (1; ImH⁺ = imidazolium; dmit²⁻ = 2-thioxo-1, 3-dithiole-4, 5-dithiolate), by a facile approach of chemical oxidation together with solvent evaporation at ambient condition. (1) was characterized by microanalysis for C, H and N elements, IR spectroscopy, TG and DSC techniques. 1 crystallizes in triclinic space group P − 1, with two different [Ni(dmit)₂] species (Ni1 and Ni2) and one ImH⁺ cation in an asymmetric unit. The characteristic C[dbnd]C, C–S and Ni–S bond lengths in [Ni(dmit)₂] species demonstrated that the valences of two different [Ni(dmit)₂] species are −0.5. The anions form dimeric stacks in 1, which are further connected into monolayers by inter-stack S…S interactions. 1 shows semiconducting feature with σ_DC = 1.45 × 10⁻³ S cm⁻¹ at 293 K and E_a = 0.17 eV; and smaller Weiss constant (−0.67 K) owing to the magnetic couplings being achieved through weak dipole–dipole interactions.

Original language	English
Article number	109833
Journal	Inorganic Chemistry Communications
Volume	144
DOIs	https://doi.org/10.1016/j.inoche.2022.109833
State	Published - Oct 2022

Keywords

2-Thioxo-1,3-dithiole-4,5-dithiolate complex
Conduction
Magnetism
Non-integer oxidation state
Radical

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10.1016/j.inoche.2022.109833

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title = "Insight into weakly antiferromagnetic coupling behavior in a non-integer oxidation state bis(2-thioxo-1,3-dithiole-4,5-dithiolate)nickelate molecular semiconductor",

abstract = "In this study, we prepared a salt, (ImH)[Ni(dmit)2]2 (1; ImH+ = imidazolium; dmit2− = 2-thioxo-1, 3-dithiole-4, 5-dithiolate), by a facile approach of chemical oxidation together with solvent evaporation at ambient condition. (1) was characterized by microanalysis for C, H and N elements, IR spectroscopy, TG and DSC techniques. 1 crystallizes in triclinic space group P − 1, with two different [Ni(dmit)2] species (Ni1 and Ni2) and one ImH+ cation in an asymmetric unit. The characteristic C[dbnd]C, C–S and Ni–S bond lengths in [Ni(dmit)2] species demonstrated that the valences of two different [Ni(dmit)2] species are −0.5. The anions form dimeric stacks in 1, which are further connected into monolayers by inter-stack S…S interactions. 1 shows semiconducting feature with σDC = 1.45 × 10−3 S cm−1 at 293 K and Ea = 0.17 eV; and smaller Weiss constant (−0.67 K) owing to the magnetic couplings being achieved through weak dipole–dipole interactions.",

keywords = "2-Thioxo-1,3-dithiole-4,5-dithiolate complex, Conduction, Magnetism, Non-integer oxidation state, Radical",

author = "Yao, {Wan Wan} and Lei Xu and Xu, {Xiao Yi} and Liu, {Jian Lan} and Tian, {Zheng Fang} and Ren, {Xiao Ming}",

note = "Publisher Copyright: {\textcopyright} 2022",

year = "2022",

month = oct,

doi = "10.1016/j.inoche.2022.109833",

language = "英语",

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T1 - Insight into weakly antiferromagnetic coupling behavior in a non-integer oxidation state bis(2-thioxo-1,3-dithiole-4,5-dithiolate)nickelate molecular semiconductor

AU - Yao, Wan Wan

AU - Xu, Lei

AU - Xu, Xiao Yi

AU - Liu, Jian Lan

AU - Tian, Zheng Fang

AU - Ren, Xiao Ming

PY - 2022/10

Y1 - 2022/10

N2 - In this study, we prepared a salt, (ImH)[Ni(dmit)2]2 (1; ImH+ = imidazolium; dmit2− = 2-thioxo-1, 3-dithiole-4, 5-dithiolate), by a facile approach of chemical oxidation together with solvent evaporation at ambient condition. (1) was characterized by microanalysis for C, H and N elements, IR spectroscopy, TG and DSC techniques. 1 crystallizes in triclinic space group P − 1, with two different [Ni(dmit)2] species (Ni1 and Ni2) and one ImH+ cation in an asymmetric unit. The characteristic C[dbnd]C, C–S and Ni–S bond lengths in [Ni(dmit)2] species demonstrated that the valences of two different [Ni(dmit)2] species are −0.5. The anions form dimeric stacks in 1, which are further connected into monolayers by inter-stack S…S interactions. 1 shows semiconducting feature with σDC = 1.45 × 10−3 S cm−1 at 293 K and Ea = 0.17 eV; and smaller Weiss constant (−0.67 K) owing to the magnetic couplings being achieved through weak dipole–dipole interactions.

AB - In this study, we prepared a salt, (ImH)[Ni(dmit)2]2 (1; ImH+ = imidazolium; dmit2− = 2-thioxo-1, 3-dithiole-4, 5-dithiolate), by a facile approach of chemical oxidation together with solvent evaporation at ambient condition. (1) was characterized by microanalysis for C, H and N elements, IR spectroscopy, TG and DSC techniques. 1 crystallizes in triclinic space group P − 1, with two different [Ni(dmit)2] species (Ni1 and Ni2) and one ImH+ cation in an asymmetric unit. The characteristic C[dbnd]C, C–S and Ni–S bond lengths in [Ni(dmit)2] species demonstrated that the valences of two different [Ni(dmit)2] species are −0.5. The anions form dimeric stacks in 1, which are further connected into monolayers by inter-stack S…S interactions. 1 shows semiconducting feature with σDC = 1.45 × 10−3 S cm−1 at 293 K and Ea = 0.17 eV; and smaller Weiss constant (−0.67 K) owing to the magnetic couplings being achieved through weak dipole–dipole interactions.

KW - 2-Thioxo-1,3-dithiole-4,5-dithiolate complex

KW - Conduction

KW - Magnetism

KW - Non-integer oxidation state

KW - Radical

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SN - 1387-7003

VL - 144

JO - Inorganic Chemistry Communications

JF - Inorganic Chemistry Communications

M1 - 109833

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Insight into weakly antiferromagnetic coupling behavior in a non-integer oxidation state bis(2-thioxo-1,3-dithiole-4,5-dithiolate)nickelate molecular semiconductor

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