(1,4,8,11-tetramethyl-1,4,8,11-tetra-azacyclotetradecane)nickel(2+) | 52610-80-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (1,4,8,11-tetramethyl-1,4,8,11-tetra-azacyclotetradecane)nickel(2+)
• 英文别名: (1,4,8,11-tetramethyl-1,4,8,11-tetraaza-cyclotetradecane)nickel(II)；(1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane)nickel(II)；(tetramethylcyclam)nickel(II)；Ni(1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane)(2+)；[Ni(II)(1,4,8,11-tetramethyltetraazacyclotetradecane)]；Ni(TMC)(2+)
• CAS: 52610-80-7；89617-40-3；138798-26-2；48175-68-4
• 化学式: C₁₄H₃₂N₄Ni
• 分子量: 315.125
• InChiKey: SISUQJBMTWOJPT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  19.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  12.96
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (1,4,8,11-tetramethyl-1,4,8,11-tetra-azacyclotetradecane)nickel(2+) 以 水 为溶剂， 生成 (1,4,8,11-tetramethyl-1,4,8,11-tetra-azacyclotetradecane)nickel(1+)
  参考文献：
  名称：

  Jubran, Nusrallah; Ginzburg, Gregory; Cohen, Haim, Inorganic Chemistry, 1985, vol. 24, # 3, p. 251 - 258

  摘要：

  DOI：
• 作为产物：
  描述：

  (1,4,8,11-tetramethyl-1,4,8,11-tetra-azacyclotetradecane)nickel(1+) 在 O₂ 作用下， 以 水 为溶剂， 生成 (1,4,8,11-tetramethyl-1,4,8,11-tetra-azacyclotetradecane)nickel(2+)
  参考文献：
  名称：

  Jubran, Nusrallah; Ginzburg, Gregory; Cohen, Haim, Inorganic Chemistry, 1985, vol. 24, # 3, p. 251 - 258

  摘要：

  DOI：

文献信息

• Dialkylcarbamato Complexes of Ni(II), Zn(II), and Cd(II)–Tetraazacycloalkanes Obtained from CO₂-Uptake, and X-Ray Structure of (Diethylcarbamato)((7<i>RS</i>,14<i>RS</i>)5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraaza-cyclotetradecane)nickel(II) Perchlorate
  作者：Haruko Ito、Tasuku Ito

  DOI：10.1246/bcsj.58.1755

  日期：1985.6

  b=13.675(3), c=13.753(2) A, β=109.94(1)°) shows that it is a discrete six-coordinate complex with cis-NiO2N4 geometry, and the carbamato ligand is bidentate. Desired carbamato complexes were hardly obtained with [M(L)]2+ containing tetraaza macrocyclic ligand which favors square-planar coordination. All the data indicate that carbamate ions chelate the metals, and thus use of tetraazacycloalkanes

  某些四氮杂环烷烃 (L) 的镍 (II)、锌 (II) 和镉 (II) 配合物 [M(L)](ClO4)2 吸收 CO2 作为 R2N − 生成氨基甲酸配合物 [M(O2CNR2) (L)]+，其中 L=(7RS,14RS)-5,5,7,12,12,14-六甲基-1,4,8,11-四氮杂环十四烷 (L1) 对于 M=Ni2+，L=1 ,4,8,11-四甲基-1,4,8,11-四氮杂环十四烷 (L2) 对于 M=Ni2+、Zn2+ 和 Cd2+。所得配合物已通过IR、NMR或电子光谱法表征。[Ni(O2CN(C2H5)2)(L1)] 的 X 射线分析（单斜 C2/c，a=15.842(3)，b=13.675(3)，c=13.753(2) A，β=109.94 (1)°) 表明它是一个离散的六配位配合物，具有顺式 NiO2N4 几何结构，并且氨基甲酸配体是双齿的。使用 [M(L)]2+
• Extraordinary Coordination of Acetonitrile to Square-Planar, 1,4,8,11-Tetraazacyclotetradecanenickel(II) and (1<i>R</i>,4<i>R</i>,8<i>S</i>,11<i>S</i>)-1,4,8,11-Tetramethyl-l,4,8,11-tetraazacyclotetradecanenickel(II) Cations
  作者：Takashi Yokoyama、Etsuro Iwamoto、Takahiro Kumamaru

  DOI：10.1246/bcsj.64.464

  日期：1991.2

  Coordination of dipolar aprotic solvents to the square-planar complexes of nickel(II) was investigated in nitrobenzene (NB) spectrophotometrically. Compared with N,N-dimethylformamide (DMF) and dimethyl sulfoxide (DMSO), it was observed that acetonitrile (AN) was strongly coordinated to [NiL]2+ (L=1,4,8,11-tetramethyl-1,4,8,ll-tetraazacyclotetradecane). The stepwise coordination constants KNiS1 and KNiS2 (mol−1 dm3) for (1R,4R,8S,11S)-[NiL]2+ were found to be (1.6, 0.5), (1.0, 0.1), (3.4, 6.7), and (0.4, 1.9) for DMSO, DMF, AN, and benzonitrile, respectively. The KNiS2 values for nitriles are larger than the KNiS1 values, showing that nitriles are coordinated to the metal ion through π-back donation.

  通过硝基苯 (NB) 分光光度法研究了偶极非质子溶剂与镍 (II) 方形平面配合物的配位。与N,N-二甲基甲酰胺（DMF）和二甲基亚砜（DMSO）相比，观察到乙腈（AN）与[NiL]2+（L=1,4,8,11-四甲基-1,4 ,8,11-四氮杂环十四烷）。 (1R,4R,8S,11S)-[NiL]2+ 的逐步配位常数 KNiS1 和 KNiS2 (mol−1 dm3) 为 (1.6, 0.5), (1.0, 0.1), (3.4, 6.7)对于 DMSO、DMF、AN 和苯甲腈，分别为 、 和 (0.4, 1.9)。腈的 KNiS2 值大于 KNiS1 值，表明腈通过 π-back 捐赠与金属离子配位。
• Unexpected and facile equilibration of six-co-ordinate bis(solvento)-(R,S,S,R)(1,4,8,11-tetramethyl-1,4,8,11-tetra-azacyclotetradecane)nickel(II) ions with the five-co-ordinate mono(solvento)-(R,S,R,S)-complexes in some co-ordinating solvents
  作者：Peter Moore、John Sachinidis、Gerald R. Willey

  DOI：10.1039/c39830000522

  日期：——

  The belief that the complexes of 1,4,8,11-teramethyl-1,4,8,11-tetra-azacyclotetradecane are thermodynamically stable in the trans-III or R,S,S,R configuration (A) is shown to be incorrect; there is substantial conversion into the trans-I or R,S,R,S geometry (B) at a relatively slow rate in some non-aqueous solvents such as dimethyl sulphoxide, but surprisingly rapidly in the presence of a strongly

  认为1,4,8,11-叔甲基-1,4,8,11-四氮杂环十四烷的络合物在反式-III或R，S，S，R构型（A）中是热力学稳定的，这表明不正确 在一些非水溶剂（例如二甲亚砜）中，以相对较慢的速率将大量转化成反式I或R，S，R，S几何结构（B），但是在强配位胺的存在下却迅速地转变为反式-I或R，S，R，S几何结构如正丙胺。
• Solvation and Ionic Association of (1<i>R</i>,4<i>S</i>,8<i>R</i>,11<i>S</i>)-1,4,8,11-Tetramethyl-1,4,8,11-tetraazacyclotetradecanenickel(II) Perchlorate in Mixed Solvents of<i>N</i>,<i>N</i>-Dimethylformamide and<i>N</i>,<i>N</i>-Dimethylacetamide with Nitrobenzene and 1,2-Dichloroethane
  作者：Takashi Yokoyama、Etsuro Iwamoto、Takahiro Kumamaru

  DOI：10.1246/bcsj.64.1198

  日期：1991.4

  The conductances of [NiL]2+ ([NiL]2+=(1R,4S,8R,11S)-1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecanenickel(II)) have been measured in N,N-dimethylformamide (DMF)–1,2-dichloroethane (DCE), and N,N-dimethylacetamide (DMA)–DCE, and iso-relative permittivity mixtures DMF–nitrobenzene (NB), DMA–NB, and DMF–DMA at 25°C. The first ionic association constant of [NiL]2+ with the perchlorate ion in the

  [NiL]2+ ([NiL]2+=(1R,4S,8R,11S)-1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecanenickel(II)) 的电导为在 N,N-二甲基甲酰胺 (DMF)–1,2-二氯乙烷 (DCE) 和 N,N-二甲基乙酰胺 (DMA)–DCE 以及等相对介电常数混合物 DMF–硝基苯 (NB)、DMA–NB 和DMF-DMA 在 25°C。[NiL]2+ 与 NB 混合物中高氯酸根离子的第一个离子缔合常数随着 DMF 和 DMA 比例的增加而降低，尽管 DMF 与 [NiL]2+ 配位而 DMA 则不然，这表明 DMA 作为NB 中的 DMF 选择性地溶解 [NiL]2+ 的轴向配位位点，从接触离子对变为溶剂分离离子对。NB的体积大且离域的负极，其偶极矩大于DMF和DMA的偶极矩，导致离子-偶极相互作用弱，导致更大程
• Kinetics and mechanism of decomposition of nickel benzyl complexes and determination of nickelbenzyl bond dissociation energies
  作者：Mark H. Schofield、Jack Halpern

  DOI：10.1016/s0020-1693(02)01349-x

  日期：2003.3

  Abstract Methylcoenzyme M reductase (MCR), which contains a square planar nickel corphin cofactor, F 430 , catalyzes the final step in methane biosynthesis in methanogenic Archaea . Recent mechanistic proposals for this enzyme suggest that the putative organonickel intermediates may react via a free radical pathway. Benzylnickel complexes employing 1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane

  摘要甲基辅酶M还原酶（MCR）包含方形平面镍planar素辅因子F 430，催化产甲烷古生菌甲烷生物合成的最后一步。关于该酶的最新机制建议表明，假定的有机镍中间体可能通过自由基途径发生反应。制备了使用1,4,8,11-四甲基-1,4,8,11-四氮杂环十四烷（tMC）的苄基镍配合物，并通过动力学方法确定了其均相NiC键解离能。在过量Ni（tMC）+存在下，NiCH2 Ph（tMC）+在乙腈中的分解动力学与镍苄基键的可逆均相反应，然后根据速率定律重新结合苄基相一致-d [Ni Ph（tMC）+] / dt = k obs [Ni Ph（tMC）+] 2，其中k obs = 2（k 4 2 k 5）/（k -4 2）[Ni（tMC）+] 2。根据活化参数（苄基：ΔH‡obs = 40.6±0.6 kcal mol -1，ΔS‡obs = 61.8±2.0 cal mol -1