Studies on α-C3S52− (dmit2−) and its dinuclear Ni(II) complex: spectroscopic and structural characterization

Breitzer, Jonathan G.; Rauchfuss, Thomas B.

doi:10.1016/s0277-5387(00)00381-8

Cited by 15 publications

(6 citation statements)

References 38 publications

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“…In terms of the Ni dithiolene complexes, a bimetallic [M 2 (dt) 3 ] 2 cluster, which has a relatively short Ni–Ni bond (2.714–2.914 Å), has been reported for the ligands dmit (2‐thione‐1,3‐dithiole‐4,5‐dithiolate)6 and edt (ethane‐1,2‐dithiolate) 7. Other heteroleptic polynuclear Ni 3 and Ni 5 complexes, in which the dmit ligand is combined with the edt or pdt (propane‐1,2‐dithiolate) ligands, are also known but in these cases the Ni atoms are bridged by the S atoms and have no direct, short Ni–Ni bonds 8.…”

Section: Introductionmentioning

confidence: 99%

Ni‐2,3‐thiophenedithiolate Anions in New Architectures: An In‐Line Mixed‐Valence Ni Dithiolene (Ni₄–S₁₂) Cluster

Neves¹,

Santos²,

Pereira³

et al. 2011

Eur J Inorg Chem

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A family of salts that was based on the [Ni(α-tpdt) n-anions (α-tpdt = 2,3-thiophenedithiolate) and the K + crown-ether cations were prepared and were then structurally and magnetically characterised. In [K(18-crown-6)][Ni(α-tpdt) 2 ], the anion has a square planar coordination geometry with ligand disorder and the cations and anions are segregated in alternating layers in the crystal structure, as was found in the previous [Ni(α-tpdt) 2 ] -salts. Two salts were obtained with the [K(15-crown-5) 2 ] + cation. The expected 1:1 salt was obtained, which had the usual anion square planar coordination geometry for [Ni(α-tpdt) 2 ] -but that had a new molecular arrangement based on an anion double chain. In addition, a 2:1 salt

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Section: Introductionmentioning

confidence: 99%

Ni‐2,3‐thiophenedithiolate Anions in New Architectures: An In‐Line Mixed‐Valence Ni Dithiolene (Ni₄–S₁₂) Cluster

Neves¹,

Santos²,

Pereira³

et al. 2011

Eur J Inorg Chem

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“…Whereas the coordination , and organic 15 chemistry of C 3 S 5 2- is vast, almost nothing is known of the fundamental redox properties of this anion. We have recently described the optical properties of C 3 S 5 2- …”

Section: Introductionmentioning

confidence: 99%

Redox Properties of C₆S₈ⁿ^- and C₃S₅ⁿ^- (n = 0, 1, 2): Stable Radicals and Unusual Structural Properties for C−S−S−C Bonds

et al. 2001

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The new anionic carbon sulfides C6S10(2-) and C12S16(2-) are described and crystallographically characterized. The C12S16(2-) anion consists of two C6S8 units connected by an exceptionally long (2.157(12) A) S-S bond. In solution, C12S16(2-) exists in equilibrium with the radical C6S8(-*). The equilibrium constant for radical formation (293 K, THF) is 1.2 x 10(-4) M, as determined by optical spectroscopy at varying concentrations. Radical formation occurs through scission of the S-S bond. On the basis of variable temperature EPR spectra, the thermodynamic parameters of this process are DeltaH = +51.5 +/- 0.5 kJ x mol(-1) and DeltaS = +110 +/- 3 J x mol(-1) x K(-1). C6S10(2-) is an oxidation product of C3S5(2-) and consists of two C3S5 units connected by an S-S bond. The S-S bond length (2.135(4) A) is long, and the CS-SC torsion angle is unusually acute (52.1 degrees ), which is attributed to an attractive interaction between C3S2 rings. The oxidation of (Me4N)2C3S5 occurs at -0.90 V vs Fc+/Fc in MeCN, being further oxidized at -0.22 V. The similarity of the cyclic voltammogram of (Me4N)2C6S10 to that of (Me4N)2C3S5 indicates that C6S10(2-) is the initial oxidation product of C3S5(2-).

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“…To include the van der Waals corrections into the density functional approach (vdW-DF) and obtain a more accurate description, the method proposed by Tkatchenko and Scheffler was employed in this work [38].…”

Section: Computational Detailsmentioning

confidence: 99%

First-principles study of nickel complex with 1,3-dithiole-2-thione-4,5-dithiolate ligands as model photosensitizers

et al. 2017

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Studies on α-C3S52− (dmit2−) and its dinuclear Ni(II) complex: spectroscopic and structural characterization

Cited by 15 publications

References 38 publications

Ni‐2,3‐thiophenedithiolate Anions in New Architectures: An In‐Line Mixed‐Valence Ni Dithiolene (Ni₄–S₁₂) Cluster

Ni‐2,3‐thiophenedithiolate Anions in New Architectures: An In‐Line Mixed‐Valence Ni Dithiolene (Ni₄–S₁₂) Cluster

Redox Properties of C₆S₈ⁿ^- and C₃S₅ⁿ^- (n = 0, 1, 2): Stable Radicals and Unusual Structural Properties for C−S−S−C Bonds

First-principles study of nickel complex with 1,3-dithiole-2-thione-4,5-dithiolate ligands as model photosensitizers

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Studies on α-C3S52− (dmit2−) and its dinuclear Ni(II) complex: spectroscopic and structural characterization

Cited by 15 publications

References 38 publications

Ni‐2,3‐thiophenedithiolate Anions in New Architectures: An In‐Line Mixed‐Valence Ni Dithiolene (Ni4–S12) Cluster

Ni‐2,3‐thiophenedithiolate Anions in New Architectures: An In‐Line Mixed‐Valence Ni Dithiolene (Ni4–S12) Cluster

Redox Properties of C6S8n- and C3S5n- (n = 0, 1, 2): Stable Radicals and Unusual Structural Properties for C−S−S−C Bonds

First-principles study of nickel complex with 1,3-dithiole-2-thione-4,5-dithiolate ligands as model photosensitizers

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Ni‐2,3‐thiophenedithiolate Anions in New Architectures: An In‐Line Mixed‐Valence Ni Dithiolene (Ni₄–S₁₂) Cluster

Ni‐2,3‐thiophenedithiolate Anions in New Architectures: An In‐Line Mixed‐Valence Ni Dithiolene (Ni₄–S₁₂) Cluster

Redox Properties of C₆S₈ⁿ^- and C₃S₅ⁿ^- (n = 0, 1, 2): Stable Radicals and Unusual Structural Properties for C−S−S−C Bonds