[(1,4,8,11-tetraazacyclotetradecane)diaquanickel(II)] | 104485-30-5

• 分子结构分类: 有机化合物
• 英文名称: [(1,4,8,11-tetraazacyclotetradecane)diaquanickel(II)]
• 英文别名: diaqua(1,4,8,11-tetraazacyclotetradecane)nickel(II)；Ni(1,4,8,11-tetraazacyclotetradecane)(H2O)2(2+)；Ni(1,4,8,11-tetraazatetradecane)(H2O)2(2+)；[Ni(1,4,8,11-tetraazacyclotetradecane)(OH₂)₂]²⁺；[Ni(cyclen)(OH₂)₂]²⁺
• CAS: 104485-30-5；78684-35-2；929689-04-3；64616-26-8；754948-15-7；443649-73-8
• 化学式: C₁₀H₂₈N₄NiO₂
• 分子量: 295.048
• InChiKey: JECZRLVDVCYBPO-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：

  [(1,4,8,11-tetraazacyclotetradecane)diaquanickel(II)] 在 sodium perchlorate 作用下， 以 水 为溶剂， 生成 nickel(II) 1,4,8,11-tetraazacyclotetradecane
  参考文献：
  名称：

  具有四氮杂配体的镍（II）配合物的蓝黄转换是否存在大环效应？

  摘要：

  Zur Untersuchung，在世界各地的澳大利亚，自然界的内在力量Liganden das Gleichgewicht zwischen den paramagnetischen，blauen Komplexen（I）和den diamagnetischen，gelben Komplexen（II）beeinflust，wimitmiten没关系。

  DOI：

  10.1016/s0020-1693(00)93812-x
• 作为产物：
  描述：

  (1,4,8,11-tetraazacyclotetradecane)nickel(II) perchlorate 在 H₂O 作用下， 以 水 为溶剂， 生成 [(1,4,8,11-tetraazacyclotetradecane)diaquanickel(II)]
  参考文献：
  名称：

  1,4,8,11-四氮杂十四环十四烷高氯酸镍（II）与几种溶剂的化学动力学。I.碱加合物形成的热力学

  摘要：

  摘要报道了通过光学和核磁共振技术研究1,4,8,11-四氮杂十四环十四烷高氯酸镍（II）与配位溶剂乙腈，N，N-二甲基甲酰胺（DMF），甲基亚砜（DMSO）和水的溶剂加合物。 。对于每种溶剂体系，给出了用于加合物形成的热力学参数ΔH°，ΔS°和K eq。在25°C下，发现稳定性顺序为DMF> CH 3 CN> DMSO> H 2O。比较了观察到的稳定性顺序以及通过单次光学测量和溶剂浓度预测的稳定性。

  DOI：

  10.1016/s0020-1693(00)93448-0

文献信息

• Anions as stabilizing ligands for Ni(III)(cyclam) in aqueous solutions
  作者：Dror Shamir、Israel Zilbermann、Eric Maimon、Alexander I. Shames、Haim Cohen、Dan Meyerstein

  DOI：10.1016/j.ica.2010.03.057

  日期：2010.10

  Abstract Several new anions were shown to be good stabilizing ligands for Ni(III)L(H 2 O ) 2 3 + , (L = 1,4,8,11-tetraazacyclotetradecane, cyclam) in aqueous solutions. Mo 7 O 24 6 - , phosphonates, phosphates, including the biological relevant ATP were shown to have the highest binding constants to the tervalent nickel ion. The results suggest that the charge density of the anion at the binding site

  摘要几种新的阴离子被证明是水溶液中Ni（III）L（H 2 O）2 3 +（L = 1,4,8,11-四氮杂环十四烷，环素）的良好稳定配体。Mo 7 O 24 6-，膦酸酯，磷酸盐（包括与生物有关的ATP）显示出对三价镍离子具有最高的结合常数。结果表明，阴离子在结合位点的电荷密度和阴离子的碱性是影响与中心Ni（III）阳离子结合常数的主要因素。
• Bicyclam [6,6′-bi(1,4,8,11-tetra-azacyclotetradecane)]: a ditopic receptor for homo- and hetero-bimetallic complexes
  作者：Luigi Fabbrizzi、Laura Montagna、Antonio Poggi、Thomas A. Kaden、Liselotte C. Siegfried

  DOI：10.1039/dt9870002631

  日期：——

  Bicyclam [6,6′-bi(1,4,8,11-tetra-azacyclotetradecane)](L2) was prepared by reducing 6,6′-bi(1,4,8,11-tetra-azacyclotetradecan-5,7-dione)(L1) with B2H6 in bis(2-methoxyethyl) ether. Ligand L2 forms homo- and hetero-binuclear complexes with Cu2+ and Ni2+, the spectral properties and the electrochemistry of which have been studied. Whereas the visible spectra are very similar to those of the mononuclear

  通过还原6,6'-bi（1,4,8,11-四氮杂环十四烷-5）制备双环素[6,6'-bi（1,4,8,11-四氮杂环十四烷）]（L 2）在双（2-甲氧基乙基）醚中具有B 2 H 6的1，7-二酮）（L 1）。配体L 2与Cu 2+和Ni 2+形成均双和杂双核配合物，已对其光谱性质和电化学进行了研究。可见光谱与具有cyclam（1,4,8,11-四氮杂环十四烷）的单核配合物的光谱非常相似，电化学表明由bicyclam配位的金属离子之间的相互作用较弱，如移位所示。氧化电位M 2 + →M 3+的关系 达到更积极的价值。
• Pyrophosphate and ATP as Stabilizing Ligands for High‐Valent Nickel Complexes
  作者：Dror Shamir、Israel Zilbermann、Eric Maimon、Alexander I. Shames、Haim Cohen、Dan Meyerstein

  DOI：10.1002/ejic.200500891

  日期：2006.2

  ATP stabilizes trivalent nickel complexes which suggests that another plausible role of ATP in biological systems is the stabilization of high-valent transition metal complexes. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)

  ATP 稳定三价镍配合物，这表明 ATP 在生物系统中的另一个可能的作用是稳定高价过渡金属配合物。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)
• Microwave heating for the rapid determination of thermodynamic functions of chemical reactions
  作者：Mauro Bacci、Marco Bini、Alessandro Checcucci、Amleto Ignesti、Luigi Millanta、Nicola Rubino、Riccardo Vanni

  DOI：10.1039/f19817701503

  日期：——

  A new technique, based on microwave heating, is proposed for the determination of thermodynamic functions of chemical reactions. The reliability of the method has been varified by studying two typical chemical equilibria (complex-formation and acid–base) as well as the temperature behaviour of several polar solvents. The absence of temperature gradients inside the sample, the broad range of variability

  提出了一种基于微波加热的化学反应热力学函数测定新技术。通过研究两种典型的化学平衡（络合物形成和酸碱）以及几种极性溶剂的温度行为，该方法的可靠性得到了证实。样品内部没有温度梯度，温度上升斜率的变化范围广，响应时间非常短，并且适用于除水以外的各种常见极性溶剂，这些方法使该方法可用于热化学领域的其他各种应用。
• Formation and homolysis of organonickel(III) complexes
  作者：Douglas G. Kelley、Adam Marchaj、Andreja Bakac、James H. Espenson

  DOI：10.1021/ja00020a020

  日期：1991.9

  The reactions of Ni(1,4,8,11-tetraazacyclotetradecane)2+ with alkyl radicals were studied. Data were collected for the R,R,S,S (or beta) and R,R,R,R (or alpha) isomers. The reactions form sigma-bonded organometallic cations, as in the equation NiL2+ + R. + H2O reversible RNiL(H2O)2+. The values of the rate constants for the forward (colligation) and reverse (homolysis) reactions were measured separately by laser flash photolysis techniques with a kinetic probe. The values of k(col) lie in the order CH3 >> primary >> secondary, and just the reverse order applies to k(hom). Thus the equilibrium constants for formation of RNiL(H2O)2+, given by k(col)/k(hom), are most favorable for methyl and least favorable for secondary alkyls. These nickel-alkyl bonds are much weaker than those in corresponding cobalt and chromium complexes. For that reason, values of k(col) vary widely with the nature of R.. Values of k(col) are considerably higher for alpha-Ni(cyclam)2+ than for the beta-isomer, and the reverse order applies to k(hom). Also, the alpha-isomer has the highest equilibrium constant for the formation equilibrium. The kinetic and thermodynamic trends can be rationalized by structural effects.