tris(hexaisopropylterphenyl NCH2CH2)N(N2) molybdenum(III)

• 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: tris(hexaisopropylterphenyl NCH2CH2)N(N2) molybdenum(III)
• 英文别名: Mo((3,5-(2,4,6-iPr3C6H2)2C6H3NCH2CH2)3N)(dinitrogen)；([3,5-(2,4,6-i-Pr3C6H2)2C6H3NCH2CH2]3N)Mo(N2)；Mo([3,5-(2,4,6-i-Pr3C6H2)2C6H3NCH2CH2]3N)(N2)；[(3,5-(2,4,6-i-Pr3C6H2)2C6H3NCH2CH2)3N]MoN2；[HIPTN3N]MoN2；2-[bis[2-[3,5-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]azanidylethyl]amino]ethyl-[3,5-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]azanide;molecular nitrogen;molybdenum(3+)
• 化学式: C₁₁₄H₁₅₉MoN₆
• 分子量: 1709.5
• InChiKey: KLSMIHXFOPNIMW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  36.66
• 重原子数：
  121
• 可旋转键数：
  27
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  53.8
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [2,6-lutidinium][tetrakis[3,5-bis(trifluoromethyl)phenyl]borate] 、 tris(hexaisopropylterphenyl NCH2CH2)N(N2) molybdenum(III) 在 Co(C₅H₅)2 作用下， 以 苯 为溶剂， 以99%的产率得到[(3,5-(2,4,6-i-Pr3C6H2)2C6H3NCH2CH2)3N]Mo(diazenido)
  参考文献：
  名称：

  在温和条件下催化还原二氮。

  摘要：

  理查德-施罗克（Richard Schrock）介绍了他在麻省理工学院的研究成果，即在环境压力和温度下，利用质子和电子在明确定义的过渡金属位点上对二氮进行生物催化还原。

  DOI：

  10.1039/b307784p
• 作为产物：
  描述：

  [HIPTN3N]Mo(15)N2 、 氮 以 氘代苯 为溶剂， 生成 tris(hexaisopropylterphenyl NCH2CH2)N(N2) molybdenum(III)
  参考文献：
  名称：

  Synthesis and Reactions of Molybdenum Triamidoamine Complexes Containing Hexaisopropylterphenyl Substituents

  摘要：

  We have synthesized a triamidoamine ligand ([(RNCH2CH2)(3)N](3-)) in which R is 3,5-(2,4,6-i-Pr3C6H2)(2)C6H3 (hexaisopropylterphenyl or HIPT). The reaction between MOCl4(THF)(2) and H-3[HIPTN3N] in THF followed by 3.1 equiv of LiN(SiMe3)(2) led to formation of orange [HIPTN3N]MoCl. Reduction of MoCl (Mo = [HIPTN3N]Mo) with magnesium in THF under dinitrogen led to formation of salts that contain the {Mo(N-2)}(-) ion. The {Mo(N-2)}(-) ion can be oxidized by zinc chloride to give Mo(N-2) Or protonated to give MoN=NH. The latter was found to decompose to yield MoH. Other relevant compounds that have been prepared include {Mo=N-NH2}(+) (by protonation of MoN=NH), Mo equivalent to N, {Mo=NH}(+) (by protonation of Moequivalent toN), and {Mo(NH3)}(+) (by treating MoCl with ammonia). (The anion is usually {B(3,5-(CF3)(2)C6H3)(4)}(-) = {BAr'(4)}(-).) X-ray studies were carried out on {Mg(DME)(3)}(0.5)-[Mo(N-2)], MoN=NMgBr(THF)(3), Mo(N-2) Moequivalent toN, and {Mo(NH3)}{BAr'(4)}. These studies suggest that the HIPT substituent on the triamidoamine ligand creates a cavity that stabilizes a variety of complexes that might be encountered in a hypothetical Chatt-like dinitrogen reduction scheme, perhaps largely by protecting against bimolecular decomposition reactions.

  DOI：

  10.1021/ic020505l

文献信息

• Some Organometallic Chemistry of Molybdenum Complexes that Contain the [HIPTN₃N]³^- Triamidoamine Ligand, {[3,5-(2,4,6-<i>i</i>-Pr₃C₆H₂)₂C₆H₃NCH₂CH₂]₃N}³^-
  作者：Matthew J. Byrnes、Xuliang Dai、Richard R. Schrock、Adam S. Hock、Peter Müller

  DOI：10.1021/om050373e

  日期：2005.8.1

  between [Mo(NH3)]BPh4 and [Bu4N]CN in fluorobenzene. Electrochemical studies in 0.1 M [Bu4N]BAr‘4 in PhF at room temperature revealed reversible couples for Mo(C2H4)+/0 and Mo(C2H2)+/0 at −0.42 and −0.94 V, respectively, while Mo(CN) exhibits two redox processes at −0.27 and −1.61 V that we assign to the Mo(CN)+/0 and Mo(CN)0/- redox couples, respectively. Addition of [Cp2Fe]BAr‘4 to a solution of Mo(η2-C2H2)

  [HIPTN之间的反应3 N]的Mo（N 2）和乙烯，乙炔，或CO产量沫（η 2 -C 2 H ^ 4），沫（η 2 -C 2 H ^ 2），和钼分别（CO），（ [HIPTN 3 N] 3 - = [3,5-（2,4,6-我-Pr 3 c ^ 6 ħ 2）2 C ^ 6 ħ 3 NCH 2 CH 2 ] 3 ñ 3 -; HIPT =六异丙基叔苯基; [HIPTN 3 N] Mo = Mo）。所有都是顺磁性的C 3对称物质。尝试通过在一氧化碳下用THF中的Na / Hg还原Mo Cl来制备Mo（CO），得到[ Mo（CO）] Na，其中钠离子被认为键合在HIPT芳基系统中。的各种酸如加法[等3 NH] BAR” 4至[沫（CO）]的Na导致形成羰基氢化物，的钼（CO）H，其也可以通过处理来制备的Mo与CO 2 H。Mo之间的反应H和乙烯，苯中的1-己烯或1-辛烯会生成顺磁性的红色Mo（CH