[Mn(O2CCMe3)2] | 60908-55-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: [Mn(O2CCMe3)2]
• 英文别名: manganese(II) trimethylacetate；manganese(II) pivalate；[Mn(O₂CCMe₃)₂]；[Mn(trimethylacetato)2]n；Mn(O2CBu-t)2；Mn(O2CtBu)2
• CAS: 60908-55-6
• 化学式: 2C₅H₉O₂*Mn
• 分子量: 257.189
• InChiKey: OICNSZPWSSSIHF-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.22
• 重原子数：
  8.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  40.13
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  [Mn(O2CCMe3)2] 在 pyridine 作用下， 以 苯 为溶剂， 生成 {Mn(C(CH3)3COO)2py}2*2C(CH)3COOH
  参考文献：
  名称：

  Pasynskii, A. A.; Idrisov, T. Ch.; Suvorova, K. M., Russian Journal of Coordination Chemistry, 1976, vol. 2, p. 813 - 819

  摘要：

  DOI：
• 作为产物：
  描述：

  以 二氯甲烷 为溶剂， 反应 1.0h， 生成 [Mn(O2CCMe3)2]
  参考文献：
  名称：

  Manganese(II) carboxylates containing coordinated 3,5-dimethylpyrazole

  摘要：

  Reactions of manganese(II) pivalate, benzoate, and cymantrenecarboxylate with 3,5-dimethylpirazole (Hdmpz) have been found to result in mononuclear complexes (Hdmpz)(4)Mn(OOCR) where R = Bu-t and Ph, respectively, and binuclear complex {Mn(mu-OOCC5H4Mn(CO)(3))(OOCC5H4Mn(CO)(3)) (Hdmpz)(2)(OH2)}(2) which contains a pyrazole solvate molecule. The obtained complexes have been isolated in high yields as single crystals and have been characterized by chemical analysis, IR spectroscopy, and X-ray diffraction.

  DOI：

  10.1134/s0036023615080215
• 作为试剂：
  描述：

  甲基锂 、 4-叔丁基环己酮 在 [Mn(O2CCMe3)2] 作用下， 生成 4-tert-butyl-1-methylcyclohexan-1-ol 、 cis-1-Methyl-4-(2-methyl-2-propanyl)cyclohexanol
  参考文献：
  名称：

  有机锰和铈试剂选择性羰基加成反应中的配体效应

  摘要：

  有机锂试剂RLi（R = CH 3，n -Bu）与新戊酸锰铁的金属过渡生成类型为RMnOC（O）t Bu的试剂，该试剂与取代的环己酮发生立体选择反应，从而优先提供轴向醇。这些试剂以及铈酸盐络合物RCe（O i Pr）3 MgX在酮官能团存在下选择性地与醛发生反应。

  DOI：

  10.1016/s0040-4039(00)60907-3

文献信息

• Cluster-based networks: assembly of a (4,4) layer and a rare T-shaped bilayer from [MnIII2MnII4O2(RCOO)10] coordination clusters
  作者：Iurie L. Malaestean、Arkady Ellern、Jan van Leusen、Victor C. Kravtsov、Paul Kögerler、Svetlana G. Baca

  DOI：10.1039/c4ce00504j

  日期：——

  The assembly of charge-neutral mixed-valent coordination clusters [MnIII2MnII4O2(RCOO)10] (R = CHMe2, CMe3) and rigid isonicotinamide or semi-rigid aldrithiol-4 exo-bridging ligands results in (4,4) layers and a 2D bilayer containing an unprecedented type of cluster-based ‘T-shaped’ motif.

  电荷中性混合价配位团簇[MnIII2MnII4O2(RCOO)10]（R = CHMe2、CMe3）与刚性异烟酰胺或半刚性醛硫醇-4 外桥接配体的组装产生了（4,4）层和二维双分子层，其中包含一种前所未有的基于团簇的 "T 形 "图案。
• One-Dimensional Manganese Coordination Polymers Composed of Polynuclear Cluster Blocks and Polypyridyl Linkers: Structures and Properties
  作者：Svetlana G. Baca、Iurii L. Malaestean、Tony D. Keene、Harry Adams、Michael D. Ward、Jürg Hauser、Antonia Neels、Silvio Decurtins

  DOI：10.1021/ic8014145

  日期：2008.12.1

  The synthesis, crystal structures and magnetic properties of five new manganese compounds are reported. These include a linear trinuclear cluster [Mn(II)(3)(O(2)CCHMe(2))(6)(dpa)(2)].2MeCN (1) (dpa = 2,2'-dipyridylamine), a tetranuclear cluster [Mn(II)(2)Mn(III)(2)O(2)(O(2)CCMe(3))(6)(bpy)(2)] (3) (bpy = 2,2'-bipyridine), and chain coordination polymers composed of cluster blocks such as Mn(3), Mn(3)O

  报道了五种新型锰化合物的合成，晶体结构和磁性。这些包括线性三核簇[Mn（II）（3）（O（2）CCHMe（2））（6）（dpa）（2）]。2MeCN（1）（dpa = 2,2'-dipyridylamine），四核簇[Mn（II）（2）Mn（III）（2）O（2）（O（2）CCMe（3））（6）（bpy）（2）]（3）（bpy = 2， 2'-联吡啶）和由簇嵌段如Mn（3），Mn（3）O和Mn（4）O（2）组成的链状配位聚合物，由2,2'-联嘧啶（bpm）或六甲基四丁胺（ hmta）配体得到（[Mn（II）（3）（O（2）CCHMe（2））（6）（bpm）]。2EtOH）（n）（2），[Mn（II）（2）Mn （III）（2）O（2）（O（2）CCHMe（2））（6）（bpm）（EtOH）（4）]（n）（4）和（（[[Mn（II）Mn（ III）（2）O（O（O）（2）CCHMe（2））（
• Cluster-Based Networks: 1D and 2D Coordination Polymers Based on {MnFe₂(μ₃-O)}-Type Clusters
  作者：Galina M. Dulcevscaia、Irina G. Filippova、Manfred Speldrich、Jan van Leusen、Victor Ch. Kravtsov、Svetlana G. Baca、Paul Kögerler、Shi-Xia Liu、Silvio Decurtins

  DOI：10.1021/ic202644t

  日期：2012.5.7

  ligands and one is a monodentate ligand; in 5, all hmta molecules act as bidentate bridges. Magnetic studies indicate dominant antiferromagnetic interactions between the metal centers in both homometallic Mn3}-type clusters 1 and 2 and heterometallic MnFe2}-type coordination polymers 3–5. Modeling of the magnetic susceptibility data to a isotropic model Hamiltonian yields least-squares fits for the following

  提出了一种直接的基于金属锰-铁团簇的配位聚合物的方法。通过采用混合价μ 3 -氧代三核锰（II / III），新戊酸簇，分离为[锰II的Mn III 2 O（O- 2 CCME 3）6（HMTA）3 ]·（溶剂）（HMTA =六亚甲基四;溶剂= ñ丙醇（1），甲苯（2与μ）的反应）3 -氧代三核铁（III），新戊酸簇化合物，的[Fe 3 O（O- 2 CCME 3）6（H 2 O）3 ] O 2 CCME 3 ·2Me 3 CCO 2 H，获得了三种新型的基于杂金属的Mn II Fe III 2 }团簇配位聚合物：一维聚合物链化合物[MnFe 2 O（O 2 CCME 3）6（HMTA）2 ]·0.5MeCN} ñ（3）和[锰铁2 O（O- 2 CCME 3）6（HMTA）2 ]·我3 CCO 2 ·H·（ñ己烷）} ñ（4）和二维层化合物[MnFe 2 O（O 2 CCME 3）6（hmTA）1
• New Mixed-Valent Mn Clusters from the Use of <i>N</i>,<i>N</i>,<i>N′</i>,<i>N′</i>-Tetrakis(2-hydroxyethyl)ethylenediamine (edteH₄): Mn₃, Mn₄, Mn₆, and Mn₁₀
  作者：Arpita Saha、Khalil A. Abboud、George Christou

  DOI：10.1021/ic201916d

  日期：2011.12.19

  The syntheses, crystal structures, and magnetochemical characterization are reported for the new mixed-valent Mn clusters [(Mn2MnIII)-Mn-II(O2CMe)(2)(edteH(2))(2)](ClO4) (1), [(Mn2Mn2III)-Mn-II(edteH(2))(2)- (hmp)(2)cl(2)](Mn(II)cl(4)) (2), [(Mn6O2)-O-III(O2CBut)(6)(edteH)(2)(N-3)(2)] (3), [(Na2Mn8Mn2O4)-Mn-III-O-II(OMe)(2)(O2CEt)(6)(edte)(2)(N-3)(6)] (4), and (NEt4)(2)- [(Mn8Mn2O4)-Mn-III-O-II(OH)(2)-(O2CEt)(6)(edte)(2)(N-3)(6)](5), where edteH(4) is N,N,N',N'-tetrakis-(2-hydroxyethyl)ethylenediamine and hmpH is 2-(hydroxymethyl)pyridine. 1-5 resulted from a systematic exploration of the effect of different Mn sources, carboxylates, the presence of azide, and other conditions, on the Mn/edteH(4) reaction system. The core of 1 consists of a linear (MnMnMnII)-Mn-II-Mn-III unit, whereas that of 2 is a planar Mn-4 rhombus within a [(Mn2Mn2III)-Mn-II(mu(3)-OR)(2)] incomplete-dicubane unit. The core of 3 comprises a central [Mn-4(III)(OR)(2)] incomplete-dicubane on either side of which is edge-fused a triangular [Mn-3(III)(mu(3)-O)] unit. The cores of 4 and S are similar and consist of a central [(Mn2Mn2III)-Mn-II(mu(3)-OR)(2)] incomplete-dicubane on either side of which is edge-fused a distorted [(MnMn3III)-Mn-II(mu(3)-O)(2)(mu(3)-OR)(2)] cubane unit. Variable-temperature, solid-state direct current (dc) and alternating current (ac) magnetization studies were carried out on 1-5 in the 5.0-300 K range, and they established the complexes to have ground state spin values of S = 3 for 1, S = 9 for 2, and S = 4 for 3. The study of 3 provided an interesting caveat of potential pitfalls from particularly low-lying excited states. For 4 and 5, the ground state is in the S = 0-4 range, but its identification is precluded by a high density of low-lying excited states.
• Family of Double-Cubane Mn₄Ln₂ (Ln = Gd, Tb, Dy, Ho) and Mn₄Y₂ Complexes: A New Mn₄Tb₂ Single-Molecule Magnet
  作者：Arpita Saha、Michael Thompson、Khalil A. Abboud、Wolfgang Wernsdorfer、George Christou

  DOI：10.1021/ic201683p

  日期：2011.10.17

  The synthesis and characterization of a family of Mn2(III)Mn(2)(II)Ln(III) L complexes (Ln = Gd (1), Tb (2), DY (3), and Ho (4)) of formula [Mn(4)Ln(2)O(2)(O2CBut)(6)(edteH(2))(2)(NO3)(2)] are reported, where edteH(4) is N,N,N',N'-tetrakis(2-hydroxyethy)ethylenediamine. The analogous Mn4Y2 (5) complex has also been prepared. They were obtained from reaction of Ln(NO3)(3) or Y(NO3)(3) with Mn(O2CBut)(2), edteH(4), and NEt3 in a 2:3:1:2 molar ratio. The crystal structures of representative 1 and 2 were obtained, and their core consists of a face-fused double-c-ubane [Mn(4)Ln(2)(mu(4)-O2-)(2)(mu(3)-OR)(4)] unit Such double-cubane units are extremely rare in 3d metal chemistry and unprecedented in 3d-4f chemistry. Variable-temperature, solid-state dc and ac magnetic susceptibility studies on 1-5 were carried out. Fitting of dc chi T-M vs T data for 5 gave J(bb) (Mn-III center dot center dot center dot Mn-III) = -32.6(9) cm(-1), J(wb) (Mn-III center dot center dot center dot Mn-III) = +0.5(2) cm(-1), and g = 1.96(1), indicating a vertical bar n, 0, > n = 0-5) 6-fold-degenerate ground state. The data for 1 indicate an S = 12 ground state, confirmed by fitting of magnetization data, which gave S = 12; D = 0.00(1) cm-(1), and g = 1.93(1) (D is the axial zero-field splitting parameter). This ground state identifies the Mn-III center dot center dot center dot Gd-III interactions to be ferromagnetic The ac susceptibility data independently confirmed the conclusions about 1 and 5 and revealed that 2 displays slow relaxation of the magnetization vector for the Mn4Tb2 analogue 2. The latter was confirmed as a single. molecule magnet by observation of hysteresis below 0.9 K in magnetization vs dc field scans on a single crystal of 2.MeCN on a micro-SQUID apparatus. The hysteresis loops also displayed well-resolved quantum tunneling of magnetization steps, only the second 3d-4f SWIM to do so.