bis(5,6-dihydro-1,4-dithiin-2,3-dithiolate)nickel | 78499-84-0

• 分子结构分类: 有机化合物 - 有机硫化合物
• 英文名称: bis(5,6-dihydro-1,4-dithiin-2,3-dithiolate)nickel
• 英文别名: nickel bis(5,6-dihydro-1,4-dithiin-2,3-dithiolate)；[Ni(5,6-dihydro-1,4-dithiin-2,3-dithiolato)2](0)；bis(5,6-dihydro-1,4-dithiine-2,3-dithiole)nickel；bis(5,6-dihydro-1,4-dithin-2,3-dithiolato)nickel；bis[5,6-dihydro-1,4-dithiine-2,3-dithiole]nickel；Ni(dddt)2；{Ni(5,6-dihydro-1,4-dithiin-2,3-dithiol)2}
• CAS: 78499-84-0
• 化学式: C₈H₈NiS₈
• 分子量: 419.37
• InChiKey: RWGXYDFCJYQPLG-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  5.97
• 重原子数：
  17.0
• 可旋转键数：
  0.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  {nickelocenium} tetrafluoroborate 、 bis(5,6-dihydro-1,4-dithiin-2,3-dithiolate)nickel 以 甲苯 为溶剂， 以0%的产率得到(η5-cyclopentadienyl)(5,6-dihydro-1,4-dithiin-2,3-dithiolate)nickel
  参考文献：
  名称：

  [CpNi(dithiolene)] (and Diselenolene) Neutral Radical Complexes

  摘要：

  Various preparations of the neutral radical [CpNi(dddt)] complex ( dddt) 5,6-dihydro-1,4-dithiin-2,3-dithiolate) were investigated with CpNi sources, [Cp2Ni], [Cp2Ni](BF4), [CpNi(CO)](2), and [CpNi(cod)](BF4), and dithiolene transfer sources, OdC(dddt), the naked dithiolate (dddt(2-)), the monoanion of square-planar Ni dithiolene complex (NBu4)[Ni(dddt)(2)], and the neutral complex [ Ni( dddt)(2)]. The reaction of [CpNi(cod)](BF4) with (NBu4)[Ni(dddt)(2)] gave the highest yield for the preparation of [CpNi(dddt)](86%). [CpNi(ddds)](ddds)5,6-dihydro-1,4-dithiin-2,3-diselenolate), [CpNi(dsdt)](dsdt)5,6-dihydro-1,4-diselenin-2,3-dithiolate), [CpNi(bdt)](bdt)1,2-benzenedithiolate), and [CpNi(bds)] ( bds = 1,2-benzenediselenolate) were synthesized by the reactions of [Cp2Ni] with the corresponding neutral Ni dithiolene complexes [Ni(ddds)(2)](2), [Ni(dsdt)(2)], [Ni(bdt)(2)], and [Ni(bds)(2)], respectively. The five, formally Ni-III, radical complexes oxidize and reduce reversibly. They exhibit, in the neutral state, a strong absorption in the NIR region, from 1000 nm in the dddt/ddds/dsdt series to 720 nm in the bdt/bds series with epsilon values between 2500 and 5000 M-1 cm(-1). The molecular and solid state structures of the five complexes were determined by X-ray structure analyses. [CpNi(dddt)] and [CpNi(ddds)] are isostructural, while [CpNi(dsdt)] exhibits a closely related structure. Similarly, [ CpNi( bdt)] and [CpNi(bds)] are also isostructural. Correlations between structural data and magnetic measurements show the presence of alternated spin chains in [CpNi(dddt)], [CpNi(ddds)], and [CpNi(dsdt)], while a remarkably strong antiferromagnetic interaction in [CpNi(bdt)] and [CpNi(bds)] is attributed to a Cp center dot center dot center dot Cp face to face sigma overlap, an original feature in organometallic radical complexes.

  DOI：

  10.1021/ic0608546
• 作为产物：
  描述：

  tetrabutylammonium bis(5,6-dihydro-1,4-dithiin-2,3-dithiol)niccolate(III) 在 tetracyanoquinodimethane 作用下， 以 not given 为溶剂， 生成 bis(5,6-dihydro-1,4-dithiin-2,3-dithiolate)nickel
  参考文献：
  名称：

  二硫醇盐配体的金属配合物：5,6-二氢-1,4-二硫代-2,3-二硫代拉托（dddt（2-）），5,7-二氢-1,4,6-三硫代-2,3-二硫代拉托（dtdt（2-））和2-Thioxo-1,3-dithiole-4,5-dithiolato（dmit（2-））。合成，电化学研究，晶体和电子结构以及导电性能。

  摘要：

  基于金属络合物[ML（2）]（n）（）（-）的潜在导电非整数氧化态（NIOS）化合物的新前体[M = Ni，Pd，Pt; L = 5,6-二氢-1,4-二硫辛-2,3-二硫代拉托（dddt（2）（-）），5,7-二氢-1,4,6-三硫辛-2,3-二硫代拉托（2）（-））和2-thioxo-1,3-dithiole-4,5-dithiolato（dmit（2）（-））; n = 2，1，0]已被研究。（NR（4））[ML（2）]（R = Me，Et，Bu; L = dddt（2）（-），dtdt（2）（-））系列的络合物已被分离和表征，并且已确定（NBu（4））[Pt（dtdt）（2）]（1）的晶体结构{1 = C（24）H（44）NPtS（10），a = 12.064（2）Å，b ＝ 17.201（3），c ＝ 16.878（2），β＝ 102.22（2）度，V ＝ 3423（1）（3），单斜，P2（1）/

  DOI：

  10.1021/ic9600341

文献信息

• Alternative Method for the Preparation of Ni(dddt)(edt) (dddt = 5,6-Dihydro- 1,4-dithiin-2,3-dithiolate, edt = cis-1,2- Ethylenedithiolate) and Similar Complexes
  作者：G. C. Papavassiliou、G. C. Anyfantis

  DOI：10.1515/znb-2005-0720

  日期：2005.7.1

  Starting from 4,5-(ethylenedithio)-1,3-dithiol-2-one and 1,3-dithiol-2-one the disodium 5,6-dihydro-1,4-dithiin-2,3- dithiolate (Na₂dddt) and disodium 1,2-dithiolate (Na₂edt) salts were prepared, which react with NiCl₂ in air to give the complex Ni(dddt)(edt) (3ab). This compound was characterized analytically and spectroscopically. The method is applicable for the preparation of similar unsymmetrical complexes.

  从4,5-(乙烯二硫)-1,3-二硫代-2-酮和1,3-二硫代-2-酮出发，制备了二钠5,6-二氢-1,4-二硫代-2,3-二硫酸盐（Na₂dddt）和二钠1,2-二硫酸盐（Na₂edt），它们与NiCl₂在空气中反应生成络合物Ni(dddt)(edt)（3ab）。该化合物经过了分析和光谱表征。该方法适用于制备类似的非对称配合物。
• Synthesis and non-linear optical properties of some novel nickel derivatives
  作者：G. Soras、N. Psaroudakis、G.A. Mousdis、M.J. Manos、A.J. Tasiopoulos、P. Aloukos、S. Couris、P. Labéguerie、J. Lipinski、A. Avramopoulos、M.G. Papadopoulos

  DOI：10.1016/j.chemphys.2010.04.019

  日期：2010.6

  complexes. Several other nickel derivatives are synthesized: bis(5,6-dihydro-1,4-dithiine-2,3-dithiole) nickel (Ni(dddt)2) and bis(6,7-dihydro-5H-[1,4] dithiepine-2,3-ddithiole) nickel (Ni(pddt)2). The non-linear optical response of the synthesized dithiolenes is measured in the visible (532 nm) and in the infrared (1064 nm) using the Z-scan technique with picosecond laser pulses. Both the refractive

  描述了一种新的镍配合物的合成，该配合物具有扩展的多硫二硫代烯配体Ni（etodddt）2（etodddt = 4,5-（1,4-氧杂蒽-2,3-二基二硫代）-1,3-二硫醇）。通过分析和光谱学对其进行表征。该化合物的结构通过单晶X射线晶体学确定。使用循环伏安法测定其氧化还原电位，并将其与类似的二硫辛烯络合物进行比较。合成了其他几种镍衍生物：双（5,6-二氢-1,4-二硫辛-2,3-二硫醇）镍（Ni（dddt）2）和双（6,7-二氢-5H- [1,4 ] dithiepine-2,3-ddithiole）镍（Ni（pddt）2）。使用皮秒激光脉冲的Z扫描技术，在可见光（532 nm）和红外光（1064 nm）中测量了合成的二硫醇的非线性光学响应。确定三阶磁化率χ （3）的折射和吸收部分，并确定二阶超极化率γ确定了二硫代戊二烯的含量，并将它们与文献数据中报道的其他二硫代烯进行比较。通过采用涉及
• Crystal Structure and Molecular Structure of Neutral Nickel Bis(5,6-dihydro-1,4-dithiin-2,3-dithiolate), Ni(dddt)₂
  作者：Hyernjoo Kim、Akiko Kobayashi、Yukiyoshi Sasaki、Reizo Kato、Hayao Kobayashi

  DOI：10.1246/bcsj.61.579

  日期：1988.2

  Neutral species of multi-sulfur 1,2-dithiolene complex, Ni(dddt)2 (dddt=5,6-dihydro-1,4-dithiin-2,3-dithiolate), was synthesized and the crystal structure has been determined. Crystals are monoclinic, space group P21⁄c, with Z=4, a=18.350(10), b=4.672(1), c=20.326(12) A, β=125.56(3)°, V=1417(1) A3. The structure was solved by the Patterson method, and refined by a block-diagonal least-squares method

  合成了多硫 1,2-dithiolene 络合物的中性物种 Ni(dddt)2（dddt=5,6-dihydro-1,4-dithiin-2,3-dithiolate），并确定了晶体结构。晶体为单斜晶系，空间群 P21⁄c，Z=4, a=18.350(10), b=4.672(1), c=20.326(12) A, β=125.56(3)°, V=1417(1) ) A3。该结构通过帕特森方法求解，并通过块对角最小二乘法对 1316 个独特反射进行细化至 R=0.081。两个独立的 Ni(dddt)2 分子分别沿 b 轴堆叠，面间距分别为 3.76 A 和 3.74 A。
• The first conducting cationic bis-dithiolene complexes of nickel and gold
  作者：�. B. Yagubskii、A. I. Kotov、L. I. Buravov、A. G. Khomenko、V. E. Shklover、S. S. Nagapetyan、Yu. T. Struchkov、L. Yu. Ukhin、L. V. Vetoshkina

  DOI：10.1007/bf00957820

  日期：1989.9
• Faulmann, Christophe; Cassoux, Patrick; Yagubskii, Edward B., New Journal of Chemistry, 1993, vol. 17, p. 385 - 392
  作者：Faulmann, Christophe、Cassoux, Patrick、Yagubskii, Edward B.、Vetoshkina, Larissa V.

  DOI：——

  日期：——