| 79230-81-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 79230-81-2
• 化学式: C₁₈H₃₁N₃PReS₄
• 分子量: 634.909
• InChiKey: UGBNQFNULJEOFQ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  4.39
• 重原子数：
  27.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  30.27
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  、 三苯基硼烷 在 acetone 作用下， 以 丙酮 为溶剂， 生成 bis(diethyldithiocarbamato)(dimethylphenylphosphine)(triphenylborylimido)rhenium(V)
  参考文献：
  名称：

  的混合配体配合物。双（二乙基二硫代氨基甲酸酯）（二甲基苯基膦）-（三苯基硼酰亚胺基）r（V），[Re（NBPh3）（Me2PhP）（t2dtc）2]的合成，表征和x射线晶体结构

  摘要：

  由[ReN（Me2PhP）（Et2dtc）2]合成了新型的硼酰亚胺基complex（V）络合物双（二乙基二硫代氨基甲酸酯）（二甲基苯基膦）（三苯基硼酰亚胺基）rh（V）[Re（NBPh3）（Me2PhP）（Et2dtc）2]经由中间体配合物[Re {NC（CH3）2CH2C（O）CH3}（Me2PhP）（Et2dtc）2] +形成NaBPh4，该配合物主要在丙酮/ HCl混合物中形成。[Re {NC（CH3）2CH2C（O）CH3}（Me2PhP）（Et2dtc）2]和终产物用IR和NMR光谱及质谱进行表征。[Re（NBPh3）（Me2PhP）（Et2dtc）2]在空间群P21 / n中晶体为单斜晶，Z = 4，R = 0.0479（对于5899个观测到的独立反射）。晶格尺寸为a = 10.313（2），b = 24.357（4），c = 15.857（3）A，β= 106.35（1）°。

  DOI：

  10.1016/0020-1693(94)04354-x

文献信息

• [{ReN(Me2PhP)(Et2dtc)Cl}2{ReN(Et22tc)2}2{SbCl3}2] — ein neuer vierkerniger Rheniumkomplex mit asymmetrischen Nitridobrücken
  作者：J. B. Stelzer、A. Hagenbach、U. Abram

  DOI：10.1002/1521-3749(200203)628:3<703::aid-zaac703>3.0.co;2-c

  日期：2002.3

  in Acetonitril und aus den gebildeten Fragmenten entstehen der wiederum nitridoverbruckte Komplex [ReN(Me2PhP)(Et2dtc)Cl]4 und [Re-N(Et2dtc)2]. Die mehrkernigen Rheniumverbindungen wurden mit Hilfe der Kristallstrukturanalyse untersucht. Wahrend das 8-gliedrige Re≡N-}4-Ringsystem in [ReN(Me2PhP)(Et2dtc)Cl}2ReN-(Et2dtc)2}2SbCl3}2] nahezu planar ist, ist das in [ReN(Me2Ph-P)(Et2dtc)Cl]4 deutlich verzerrt

  [ReN(Et2dtc)2(Me2PhP)] (Me2PhP = Dimethylphenylphosphan, Et2dtc- = Diethyldithiocarbamat) 在 Bildung von [ReN-(Me2PhP)(Et2dtc)Cl}2ReNReN}2Et}2 SbCl3}2]。在 dieser Verbindung wird ein Re≡N-}4-Ring mit asymmetrischen Nitridobrukken durch die zusatzliche Koordination von SbCl3 an die Chloroliganden und Schwefelatome der Dithiocarbamatliganden stabilisiert。Der Mehrkernkomplex zersetzt sich beim Erhitzen
• Synthesis and Crystal Structures of the Novel Tetrameric Nitrido Complexes [{cyclo-ReN}4(S2CNEt2)6(MeOH)2(PPh3)2][BPh4]2 · CH2Cl2 · 2 H2O and [{cyclo-ReN}4(S2CNEt2)4Cl4(PMe2Ph)4] · 2 acetone
  作者：D. V. Griffiths、S. J. Parrott、M. Togrou、J. R. Dilworth、Yifan Zheng、S. Ritter、U. Abram

  DOI：10.1002/(sici)1521-3749(199809)624:9<1409::aid-zaac1409>3.0.co;2-k

  日期：1998.9

  Novel tetrameric rhenium(V) complexes have been prepared from [ReNCl2(PPh3)(2)] and [ReN(PMe2Ph).(S2CNEt)(2)], respectively. [ReNCl2(PPh3)(2)] reacts with 1.5 equivalents of KS2CNEt2 in methanol to yield the unusual dark red species [cyclo-ReN}(4)(S2CNEt2)(6)(MeOH)(2).(PPh3)(2)][BPh4](2). CH2Cl2. 2H(2)O (1). The crystal structure of the tetramer (triclinic, space group P (1) over bar, a = 13.842(2), b = 15.213(2), c = 16.796(3) Angstrom, alpha = 67.88(1), beta = 70.90(1), gamma = 88.05(1)degrees, U = 3080.2(8) Angstrom(3), Z = 1) shows four rhenium atoms in a square configuration which are bridged via linear asymmetric Re=N-Re groups with bond lengths of about 169 and 203 pm. The molecule contains a centre of symmetry with two distinct octahedral rhenium environments. The first rhenium environment contains two bidentate dithiocarbamate ligands which complete the octahedral geometry and the second contains a bidentate dithiocarbamate ligand, coordinated methanol and has retained a single phosphine coligand. A symmetric compound containing the cyclo-ReN}(4) core is obtained from the reaction of [ReN(PMe2Ph)(S2CNEt2)(2)] with Al2Cl6 in acetone. [cyclo-ReN}(4)(S2CNEt2)(4)Cl-4.(PMe2Ph)(4)]. 2 acetone (2) forms red crystals (monoclinic, space group C2/c, a = 21.432(6), b = 13.700(3), c = 28.060(9) Angstrom, beta = 102.37(1)degrees, U = 8048(4) Angstrom(3), Z = 4) with each rhenium atom coordinated by a bidentate dithiocarbamato, a phosphine and a chloro ligand. The non-planar 8-membered ReN}(4) ring contains asymmetric Re=N-Re bridges (mean values: 1.69 Angstrom and 2.029 Angstrom, respectively). In contrast, reaction of [ReNCl(S2CNEt2)(PMe2Ph)(2)] with one equivalent of K[S2CN(Me)CH2CH2NMe3]I gave the mixed dithiocarbamato-cation [ReN(S2CNEt2).(S2CN(Me)CH2CH2NMe3)(PMe2Ph)](+) (3) which was isolated as a tetraphenylborate salt.
• The reaction of rhenium nitrido complexes with +CPh3. Synthesis, structures and EPR spectra of rhenium imido compounds
  作者：Ulrich Abram、Andreas Voigt、Reinhard Kirmse

  DOI：10.1016/s0277-5387(00)00463-0

  日期：2000.7

  The reactions of triphenylcarbonium hexafluorophosphate, (CPh3)(PF6), with the terminal nitrido ligands of [ReN(Et(2)dtc)(2)-(Me2PhP)] (Et(2)dtc(-) = N,N-diethyldithiocarbamate) and (Bu4N)[ReNCl4] are described. The resulting imido complexes [Re(NCPh3)(Et(2)dtc)(2)(Me2PhP)](PF6) and (Bu4N)[Re(NCPh3)Cl-4(ORe3)] have been studied by X-ray crystallography showing short rhenium-nitrogen multiple bond lengths of 1.706(6) and 1.686(6) Angstrom, respectively. Nevertheless, the structural trans influence due to the imido ligand is significantly smaller than that of 'N3-' which leads to a decreasing of the trans Re-S bond length by 0.24 Angstrom in [Re(NCPh3)(Et(2)dtc)(2)(Me2PhP)](PF6). Despite the addition of the bulky +CPh3 to the nitrido ligand, the N drop Re-L-(equatorial) angles are only slightly increased in [Re(NCPh3)(Et(2)dtc)(2)(Me2PhP)](+), whereas those in [Re(NCPh3)Cl-4-(OReO3)](-) are smaller compared with the values in the starting complex which may also be attributed to the occupation of the sixth coordination position by perrhenate. The rhenium(VI) compounds (5d(1)) [Re(NCPh3)X4Y](-) (X = F, Cl, Br, NCS; Y = X or OReO3) were studied by EPR spectroscopy indicating a noticeable loss of electron density in the central 'ReNX4' moiety upon addition of +CPh3 to the nitrido site of the [ReNX4(5)](-,(2-)) starting complexes. The EPR parameters of mixed-ligand intermediates of the general composition [Re(NCPh3)Br4-nClnY](-) (Y = Cl, Br or OReO3) which are formed during ligand exchange reactions are clearly correlated to the composition of the coordination sphere and can be used to characterize the mixed-ligand species unambiguously. (C) 2000 Elsevier Science Ltd. All rights reserved.