1,3-diphenyl-[1,3-¹⁵N]triazene | 72208-71-0

• 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: 1,3-diphenyl-[1,3-¹⁵N]triazene
• 英文别名: 1,3-Ph(15)N=N(15)N(H)Ph；N-(phenyldiazenyl)(15N)aniline
• CAS: 72208-71-0
• 化学式: C₁₂H₁₁N₃
• 分子量: 199.226
• InChiKey: ALIFPGGMJDWMJH-SBAVNFSASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  36.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,3-diphenyl-[1,3-¹⁵N]triazene 、 三甲基铝 以 正己烷 为溶剂， 生成
  参考文献：
  名称：

  Electronic Structure of the Tris(1,3-diphenyltriazenido)aluminum Radical Anion: A Theoretical and Experimental ESEEM and EPR Study

  摘要：

  Multifrequency ESEEM (electron spin echo envelope modulation) and EPR spectroscopies are employed to elucidate the electronic structure of the monoradical anion of tris(1,3-diphenyltriazenido)aluminum, [Al(dpt)(3)](-), which is obtained by the chemical reduction of Al(dpt)(3). Analysis of the EPR and ESEEM spectra obtained for various isotope-labeling combinations, including N-15 isotope labeling of either the 1,3 (flanking) or 2 (central) positions of the diphenyltriazenide ligands, allows for the detailed study of the electronic structure of the radical anion. EPR spectra of the N-15-labeled derivatives clearly indicate that the radical anion complex is ligand-centered with strong hyperfine couplings to the nitrogen nuclei of a single triazenide ligand observed. However, detailed analysis of the strong hyperfine couplings exhibited in the EPR spectra is prevented by the lack of resolution, A multifrequency ESEEM spectroscopy study was undertaken in order to resolve the weakly coupled nuclei obscured in the EPR spectra by the inhomogeneous line broadening. A very weak coupling to the aluminum center is manifested in the ESEEM spectra, further supportive of the ligand-centered nature of the radical anion complex. Also evident from the ESEEM spectra are three distinguishable types of nitrogen nuclei: weak, anisotropically coupled central and flanking nitrogens and weak, isotropically coupled (ca. 1 Gauss) flanking nitrogens. Ab initio calculations were performed in order to aid in the assignment of the nuclear hyperfine couplings observed in the ESEEM and EPR spectra to specific nitrogen positions on the triazenide rings. Together, the EPR, ESEEM, and nb initio calculations give a coherent picture of the electron spin density distribution and bonding in the radical anion [Al(dpt)(3)](-). Reduction of the aluminum complex results in localization of the electron onto the p-pi* molecular orbitals of one of the three diphenyltriazenide ligands.

  DOI：

  10.1021/ja00111a011

文献信息

• Synthesis and Characterization of Triazenide and Triazene Complexes of Ruthenium and Osmium
  作者：Gabriele Albertin、Stefano Antoniutti、Marco Bedin、Jesús Castro、Soledad Garcia-Fontán

  DOI：10.1021/ic052063u

  日期：2006.5.1

  triazene complexes prepared from the 1,3-Ph15N=N15N(H)Ph ligand. Osmium dihydrogen [OsH(eta2-H2)P4]BPh4 complexes [P = P(OEt)3, PPh(OEt)2] react with 1,3-ArN=NN(H)Ar triazene to give the hydride-diazene [OsH(ArN=NH)P4]BPh4 derivatives. The X-ray crystal structure determination of the [OsH(PhN=NH)PPh(OEt)2}4]BPh4 complex is reported. A reaction path to explain the formation of the diazene complexes is also

  Triazenide [M（eta2-1,3-ArNNNAr）P4] BPh4 [M = Ru，Os; Ar = Ph，对甲苯基; P = P（OMe）3，P（OEt）3，PPh（OEt）2]配合物的制备是通过使三氟甲磺酸酯[M（kappa2-OTf）P4] OTf物种首先与1,3-ArN = NN（H ）Ar三氮烯，然后加入过量的三乙胺。另外，三氢化钌[Ru（eta2-1,3-ArNNNAr）P4] BPh4衍生物是通过使氢化物[RuH（eta2-H2）P4] +和RuH（kappa1-OTf）P4化合物与1,3-二芳基三氮烯反应而获得的。通过[Ru（eta2-1,3-PhNNNPh）P（OEt）3} 4] BPh4衍生物的光谱学和X射线晶体学表征该配合物。氢化三氮烯[OsH（eta1-1,3-ArN = NN（H）Ar）P4] BPh4 [P = P（OEt）3，PPh（OEt）2;
• Preparation and reactivity of p-cymene complexes of ruthenium and osmium incorporating 1,3-triazenide ligands
  作者：Gabriele Albertin、Stefano Antoniutti、Jesús Castro、Stefano Paganelli

  DOI：10.1016/j.jorganchem.2010.05.028

  日期：2010.8

  complexes MCl(η2-1,3-ArNNNAr)(η6-p-cymene) (M = Ru, Os) were also prepared by allowing [MCl(μ-Cl)(η6-p-cymene)]2 to react with 1,3-diaryltriazene in the presence of triethylamine. p-Cymene complexes MCl2(η6-p-cymene)L reacted with equimolar amounts of 1,3-ArNNN(H)Ar triazene to give both triazenide complexes [M(η2-1,3-ArNNNAr)(η6-p-cymene)L]BPh4 and amine derivatives [MCl(ArNH2)(η6-p-cymene)L]BPh4

  p -Cymene络合物的MC1 2（η 6 - p -cymene）L [M =钌，锇; L = P（OET）3，PPH（OET）2，（CH 3）3 CNC]通过允许制备的MC1（μ-Cl）的（η 6 - p -cymene）] 2与亚磷酸酯或反应叔丁基异氰化物。的MC1的治疗2（η 6 - p -cymene）L-络合物与1,3- ARN NN（H）中的Ar三氮烯和过量净的3得到阳离子triazenide衍生物[M（η 2 -1,3- ArNNNAr）（ η 6 - p-cymene）L] BPh 4（Ar = Ph，p-甲苯基）。中性triazenide络合物的MC1（η 2 -1,3- ArNNNAr）（η 6 - p -cymene）（M =钌，锇）也通过允许制备的MC1（μ-Cl）的（η 6 - p -cymene）] 2在三乙胺存在下与1,3-二芳基三氮烯反应。p -Cymene络合物的MC1