Mn₃(2,4,6-Me₃C₆H₂)₆

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Mn₃(2,4,6-Me₃C₆H₂)₆
• 英文别名: Mn₃(mes)₆；Mn3(2,4,6-trimethylphenyl)6；Mn3(Mes)6
• 化学式: 6C₉H₁₁*3Mn
• 分子量: 879.932
• InChiKey: MYNFNRPQPFDBCL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.41
• 重原子数：
  10.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  Mn₃(2,4,6-Me₃C₆H₂)₆ 、 1,3-双(2,6-二异丙基苯基)咪唑-2-烯 以 乙醚 为溶剂， 反应 24.0h， 以86%的产率得到
  参考文献：
  名称：

  阴离子N-杂环二卡宾配体的过渡金属配合物

  摘要：

  两种碳素的故事：：C [N（2,6 - i Pr 2 C 6 H 3）CH] 2（IPr）与Mn 3（mes）6（mes = 2,4,6-三甲基苯基）的反应三角形平面络合物[Mn（IPr）（mes）2 ]。在THF中用钾/石墨还原该物质，得到聚合物二碳烯桥连的物质K [{：C [N（2,6- i Pr 2 C 6 H 3）] 2（CH）C} 2Mn（mes）（thf）]·THF（见图）。该配合物中的阴离子部分是第一个报道的含有N杂环二碳烯配体的过渡金属配合物的例子。灰色C，蓝色N，红色Mn。

  DOI：

  10.1002/anie.201206100

文献信息

• A Homologous Series of First-Row Transition-Metal Complexes of 2,2′-Bipyridine and their Ligand Radical Derivatives: Trends in Structure, Magnetism, and Bonding
  作者：Mark Irwin、Laurence R. Doyle、Tobias Krämer、Radovan Herchel、John E. McGrady、Jose M. Goicoechea

  DOI：10.1021/ic301587f

  日期：2012.11.19

  anionic iron complexes [Fe(2,2′-bipy)(mes)2]0/– (3/3–), form a homologous series of compounds which allow for an in-depth study of the interactions between metals and ligands. Single-crystal X-ray diffraction data, DFT calculations, and various spectroscopic and magnetic measurements indicate that the anionic complexes (1––5–) can be best formulated as M(II) complexes of the 2,2′-bipyridyl radical anion.

  有机金属第一行过渡金属配合物[M（2,2'-bipy）（mes）2 ]（M = Cr（1），Mn（2），Co（4），Ni（5）; 2,2 ′-bipy = 2,2'-bipyridine; mes = 2,4,6-Me 3 C 6 H 2）与钾和合适的碱金属螯合剂反应生成阴离子物种的盐[M（2， 2′-bipy）（mes）2 ] -。通过[Cr（2,2'-bipy）（mes）2 ]·1.5C 6 H 6，[Mn（2,2'- bipy）（mes）2]，[Co（2,2'-bipy）（mes）2 ]·THF，[Ni（2,2'-bipy）（mes）2 ]，[K（dibenzo-18-crown-6）·THF] [Cr（2,2'-bipy）（mes）2 ]·2THF，[K（18-crown-6）] [Mn（2,2'-bipy）（mes）2 ]·2THF，[K（18 -crown-6）] [Mn（2,2'-bipy）（mes）2
• Synthesis and Structure of an Arylmanganese(II) 8-Hydroxyquinolinate Tetranuclear Cluster
  作者：Iwona Justyniak、Arkadiusz Kornowicz、Daniel Prochowicz、Kamil Sokołowski、Janusz Lewiński

  DOI：10.1002/zaac.201400302

  日期：2014.10

  the formation of arylomanganese(II) tetranuclear cluster [(Mes)2Mn4(q)6]·4PhMe (1) supported by the quinolinate ligands. Molecular studies showed that the centrosymmetric molecule of 1 contains two pairs of manganese atoms of different coordination modes formed by association of the two dinuclear [MesMn(q)][Mn(q)2] moieties. A detailed analysis of the crystal structure of 1 revealed that single molecules

  8-羟基喹啉与二甲基锰[(Mes)2Mn]3 的反应导致芳基锰(II) 四核簇[(Mes)2Mn4(q)6]·4PhMe (1) 的形成，由喹啉配体支持。分子研究表明，1 的中心对称分子含有两对不同配位模式的锰原子，由两个双核 [MesMn(q)][Mn(q)2] 部分结合形成。对 1 的晶体结构的详细分析表明，1 的单个分子通过分子间 CHar…π 相互作用的网络自组装成紧密堆积的准网格 2D 层。
• A Highly Distorted Open-Shell Endohedral Zintl Cluster: [Mn@Pb₁₂]^3–
  作者：Binbin Zhou、Tobias Krämer、Amber L. Thompson、John E. McGrady、Jose M. Goicoechea

  DOI：10.1021/ic200329m

  日期：2011.9.5

  Reaction of an ethylenediamine (en) solution of K4Pb9 and 212,2-crypt (4,7,13,16,21,24-hexama-1,10-diazabicydo[8.8.8]hexacosane) with a tetrahydrofuran (THF) solution of Mn-3(Mes)(6) (Mes = 2,4,6-trimethylphenyl) yielded the anionic cluster [Mn@Pb-12](3-). This species was observed in the positive and negative ion-mode electrospray mass-spectra of the crude reaction mixture. The crystalline samples obtained from such solutions allowed us to confirm the composition of the sample as [K(2,2,2-crypt)](3)[Mn@Pb-12] .1.5en (1). Because of numerous issues related to crystal sample quality and crystallographic disorder a high-quality crystal structure solution could not be obtained. Despite this, however, the data collected permit us to draw reasonable conclusions about the charge and connectivity of the [Mn@Pb-12](3) cluster anion. Crystals of 1 were further characterized by elemental analysis and electron paramagnetic resonance (EPR). Density Functional Theory (DFT) calculations on such a system reveal a highly distorted endohedral cluster anion, consistent with the structural distortions observed by single crystal X-ray diffraction. The cluster anions are considerably expanded compared to the 36-electron dosed-shell analogue [Ni@Pb-12](2-) and, moreover, exhibit significant low-symmetry distortions from the idealized icosahedral (I-h) geometry that is characteristic of related endohedral dusters. Our computations indicate that there is substantial transfer of electron density from the formally Mn(-I) center to the low-lying vacant orbitals of the [Pb-12](2-) cage.