DD/LL-commo-[3,3'-Fe(4-(Me2S)-1,2-C2B9H10)2] | 157564-52-8

• 英文名称: DD/LL-commo-[3,3'-Fe(4-(Me2S)-1,2-C2B9H10)2]
• 英文别名: 4,4’-(Me₂S)₂-3,3′-Fe(1,2-C₂B₉H₁₀)₂；4,7’-(Me₂S)₂-3,3′-Fe(1,2-C₂B₉H₁₀)₂；DD/LL commo-(3-Fe(1,2-C2B9H10-4-SMe2)2；[(η-9-SMe2-7,8-C2B9H10)2Fe]；Fe(η5-9-SMe2-7,8-C2B9H10)2
• CAS: 157564-52-8；169438-42-0；169436-97-9
• 化学式: C₈H₃₂B₁₈FeS₂
• 分子量: 442.919
• InChiKey: WNODUKYZNOBQLF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  DD/LL-commo-[3,3'-Fe(4-(Me2S)-1,2-C2B9H10)2] 、 四甲基溴化铵 在 丁硫醇 、 potassium tert-butylate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 50.0h， 以47%的产率得到(Me₄N)[4,4’-(MeS)₂-3,3′-Fe(1,2-C₂B₉H₁₀)₂]
  参考文献：
  名称：

  双（二咔唑铁）铁的双（甲基硫烷基）衍生物的合成与结构

  摘要：

  铁（II）双（二咔唑）[8,8'-（MeS）2 -3,3'-Fe（1,2-C 2 B 9 H 10）2 ]的双（甲基硫烷基）衍生物2-（4 2 -），[4,4'-（MeS）2 -3,3'-Fe（1,2-C 2 B 9 H 10）2 ] 2-（5 2-）和[4,7'-（ MeS）2 -3,3'-Fe（1,2-C 2 B 9 H 10）2 ] 2-（6 2-）通过相应的二甲基锍衍生物的处理而制得1 - 3与钾butylthiolate。它们在水溶液中被空气氧化会生成相应的铁（III）双（双糖脂）[8,8'-（MeS）2 -3,3'-Fe（1,2-C 2 B 9 H 10）衍生物2 ] - （7 - ），[4,4' - （MES）2 -3,3'-铁（1,2-C 2乙9 ħ 10）2 ] - （8 - ）和[4,7-' -（MeS）2 -3,3′-Fe（1,2-C 2 B9 ħ 10）2 ] - （9

  DOI：

  10.1016/j.jorganchem.2018.04.019
• 作为产物：
  描述：

  、 iron(II) chloride 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 反应 20.5h， 生成 DD/LL-commo-[3,3'-Fe(4-(Me2S)-1,2-C2B9H10)2]
  参考文献：
  名称：

  双（二咔唑铁）铁的双（甲基硫烷基）衍生物的合成与结构

  摘要：

  铁（II）双（二咔唑）[8,8'-（MeS）2 -3,3'-Fe（1,2-C 2 B 9 H 10）2 ]的双（甲基硫烷基）衍生物2-（4 2 -），[4,4'-（MeS）2 -3,3'-Fe（1,2-C 2 B 9 H 10）2 ] 2-（5 2-）和[4,7'-（ MeS）2 -3,3'-Fe（1,2-C 2 B 9 H 10）2 ] 2-（6 2-）通过相应的二甲基锍衍生物的处理而制得1 - 3与钾butylthiolate。它们在水溶液中被空气氧化会生成相应的铁（III）双（双糖脂）[8,8'-（MeS）2 -3,3'-Fe（1,2-C 2 B 9 H 10）衍生物2 ] - （7 - ），[4,4' - （MES）2 -3,3'-铁（1,2-C 2乙9 ħ 10）2 ] - （8 - ）和[4,7-' -（MeS）2 -3,3′-Fe（1,2-C 2 B9 ħ 10）2 ] - （9

  DOI：

  10.1016/j.jorganchem.2018.04.019

文献信息

• Silicon(IV) and Germanium(IV) Moieties Stabilized by the Charge-Compensated Carborane Ligand [9-SMe₂-7,8-C₂B₉H₁₀]⁻: Synthetic and Structural Investigation
  作者：Vladimir I. Meshcheryakov、Chong Zheng、Alexander R. Kudinov、John A. Maguire、Narayan S. Hosmane

  DOI：10.1021/om8004788

  日期：2008.10.13

  Reaction of the charge-compensated carborane anion [9-SMe2-7,8-C2B9H10]− (1−) with Me2ECl2 and Me3ECl (E = Si, Ge) leads to the carboranes η1-8-EMe2Cl-9-SMe2-7,8-C2B9H10 (2a,b) and (EMe3)(9-SMe2-7,8-C2B9H10) (3a,b), respectively. Compound 3a was found to react readily with FeCl2 to form Fe(η5-9-SMe2-7,8-C2B9H10)2 (4). All products were characterized by NMR spectroscopy and chemical analysis. Compounds

  电荷补偿的碳硼烷阴离子的反应[9-SME 2 -7,8--C 2乙9 ħ 10 ] - （1 - ）与我2根据EC1 2和Me 3 ECL（E =硅，锗）通向碳硼烷η 1 -8- EME 2 CL-9-SME 2 -7,8--C 2乙9 ħ 10（图2a，b）和（EME 3）（9-SME 2 -7,8--C 2乙9 ħ 10）（3a，b）， 分别。化合物3A被发现与的FECl容易反应2，形成的Fe（η 5 -9-SME 2 -7,8--C 2乙9 ħ 10）2（4）。所有产物均通过NMR光谱和化学分析进行表征。化合物2a，b还通过X射线晶体学表征。这两种化合物是同结构的碳硼烷η 1通过邻近具有中小企业硼笼碳键合的到Si或Ge 2取代基。
• Ferracarborane Benzene Complexes [(η-9-L-7,8-C₂B₉H₁₀)Fe(η-C₆H₆)]⁺ (L = SMe₂, NMe₃): Synthesis, Reactivity, Electrochemistry, Mössbauer Effect Studies, and Bonding
  作者：Alexander R. Kudinov、Piero Zanello、Rolfe H. Herber、Dmitry A. Loginov、Mikhail M. Vinogradov、Anna V. Vologzhanina、Zoya A. Starikova、Maddalena Corsini、Gianluca Giorgi、Israel Nowik

  DOI：10.1021/om901085y

  日期：2010.5.24

  investigated by electrochemical techniques and compared with that of the related cyclopentadienyl complexes. Electrochemistry gives evidence that the conversion of 2a−c to 3a−c can also be triggered by a two-electron oxidation followed by deprotonation. DFT calculations of the redox potentials and the respective geometrical changes were performed. Data on electrostatic potentials at iron nuclei suggest

  苯配合物[（η-9-L-7,8--C 2乙9 - [R 2 ħ 8）的Fe（η-C 6 H ^ 6）] +（3a中：L = SMe的2，R = H; 3B：L = SMe的2，R =甲基; 3C：L = NME 3，R = H）通过光化学反应来制备[（η 5 -C 6 ħ 7）的Fe（η-C 6 H ^ 6）] +与碳硼烷阴离子[ 9-L-7,8-C 2 B 9 R 2 H 8 ] -（1A - C ^），随后处理的（η-9-L-7,8--C 2乙9 - [R 2 ħ 8）的Fe（η 5 -C 6 ħ 7）（图2a - C ^）ferracarboranes用HCl形成。的可见光照射图3a与吨BuNC或P（OME）3在乙腈中更换苯配体的结果，得到三（配体）的衍生物[（η-9-SME 2 -7,8--C 2乙9 ħ 10 Fe（配体）3 ] +（4，5）。不对称碳硼烷复合物（η-9-SME 2
• Synthesis and structure of a charge-compensated ferracarborane, commo-[3,3′-Fe{4-(Me₂S)-1,2-C₂B₉H₁₀}₂], and its charge-transfer salt with 2,3-dichloro-5,6-dicyano-p-benzoquinone
  作者：Yaw-Kai Yan、D. Michael P. Mingos、Thomas E. Müller、David J. Williams、Mohamedally Kurmoo

  DOI：10.1039/dt9940001735

  日期：——

  The sandwich complex commo-[3,3'-Fe4-(Me2S)-1,2-C2B9H10}2] 1 was synthesised. Its meso and DD/LL isomers are easily separated by fractional recrystallization from acetone and were spectroscopically characterized. The charge-transfer salt [3,3'-Fe4-(Me2S)-1,2-C2B9H10}2]+[ddq].- 2 was formed between the DD/LL-1 racemate and 2,3-dichloro-5,6-dicyano-p-benzoquinone (ddq). X-Ray crystallography revealed an increase in the iron-dicarbollide distance on oxidation Of DD/LL-1 (Fe-C2B3 1.50 angstrom) to the cation in 2 (Fe-C2B3 1.54 angstrom). The latter is the first example of a cationic bis(dicarbollyl)metal complex to be crystallographically characterized. The cations and anions pack to form alternating layers in the crystal of 2. Within the [ddq].- layer the anions form zigzag chains linked via intermolecular N ... Cl electrostatic interactions (N ... Cl 3.21 angstrom). The cation and anion layers are crossed-linked by weak CH ... 0 hydrogen bonds between the oxygen atoms of the [ddq].- anions and some of the cage CH hydrogen atoms of the cations. Between 5 and 270 K the corrected molar susceptibility of 2 follows the Curie-Weiss law, with a theta value of -2.5 K. The single-crystal electrical conductivity of 2 at room temperature is less than 10(-8) S cm 1.
• Synthesis and characterisation of the mixed-sandwich complex closo-[3-(η-C₅Me₅)Fe-4-Me₂S-1,2-C₂B₉H₁₀] and its charge-transfer salts; crystal structure of [Fe(η-C₅Me₅)-(C₂B₉H₁₀SMe₂)]⁺[ddq]˙^–·CH₂Cl₂(ddq = 2,3-dichloro-5,6-dicyano-p-benzoquinone)
  作者：Yaw-Kai Yan、D. Michael P. Mingos、Thomas E. Müller、David J. Williams、Mohamedally Kurmoo

  DOI：10.1039/dt9950002509

  日期：——

  The mixed-sandwich ferracarborane complex closo-[3-(eta-C(5)Me(5))Fe-4-Me(2)S-1,2-C(2)B(9)H(10)] has been synthesised and characterised by cyclic voltammetry. infrared. (1)H and (11)B NMR spectroscopy. This complex forms stable 1:1 charge-transfer salts with 2,3-dichloro-5,6-dicyano-p-benzoquinone (ddq) and 7,7,8,8-tetracyano-2,3,5,6-tetrafluoroquinodimethane. Both salts are paramagnetic between 5 and 300 K with Weiss constants of -0.9 and -0.7 K respectively. The organic radical anions do not contribute to the bulk magnetic susceptibilities of these salts. Single-crystal X-ray diffraction analysis of the ddq salt shows that the ddq(radical) (anion) anions form isolated stacked dimers within which there is a short interplanar separation of 2.90 Angstrom. Short S ... O contacts (3.15 Angstrom) occur between the [Fe(eta-C(5)Me(5))(C(2)B(9)H(10)SMe(2))](+) cations and the quinoidal oxygen atoms of the anions. The room-temperature electrical conductivity of single crystals of the ddq salt is less than 10(-7) S cm(-1).
• Synthesis and crystal molecular structure of ferracarborane commo-(3-Fe-{1,2-C2B9H9-4-SMe2-12-HgCl}2)
  作者：Z.A. Starikova、I.A. Lobanova、S.V. Timofeev、V.I. Bregadze

  DOI：10.1016/j.molstruc.2009.08.014

  日期：2009.11

  Symmetrically substituted dimercuro-ferracarborane commo-(3-Fe-1,2-C2B9H9-4-SMe2-12-HgCl)(2)) (1) was synthesized and its structure was determined by single crystal X-ray diffraction. The molecule adopts a staggered sandwich structure with the dicarbollide ligands forming cisoid conformation. Strong intermolecular interactions Hg center dot center dot center dot C1 and S center dot center dot center dot Cl lead to formation of I D chains [commo-(3-Fe-1,2-C2B9H9-4-SMe2-12-HgCl)(2))}(infinity). (C) 2009 Elsevier B.V. All rights reserved.