pentaamminetriflatorhodium(III) triflate | 84254-57-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: pentaamminetriflatorhodium(III) triflate
• CAS: 84254-57-9
• 化学式: 2CF₃O₃S*CH₁₅F₃N₅O₃RhS
• 分子量: 635.269
• InChiKey: UTIWKDWRJIZVID-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：

  pentaamminetriflatorhodium(III) triflate 在 吡啶 作用下， 以 吡啶 为溶剂， 生成 {Rh(NH3)5(pyridine)}(CF3SO3)3
  参考文献：
  名称：

  Lawrance, Geoffrey A., Inorganic Chemistry, 1985, vol. 24, # 3, p. 323 - 326

  摘要：

  DOI：
• 作为产物：
  描述：

  chloropentaamminerhodium(III) chloride 、 三氟甲磺酸 以 neat (no solvent) 为溶剂， 生成 pentaamminetriflatorhodium(III) triflate
  参考文献：
  名称：

  Dixon, Nicholas E.; Lawrance, Geoffrey A.; Lay, Peter A., Inorganic Chemistry, 1984, vol. 23, # 19, p. 2940 - 2947

  摘要：

  DOI：

文献信息

• Synthesis and base hydrolysis of pentaammine N,N-dimethylformamide and acetonitrile complexes of rhodium(III) and iridium(III)
  作者：Neville J. Curtis、Alan M. Sargeson

  DOI：10.1021/ja00315a029

  日期：1984.2

  Synthese et hydrolyse basique. La coordination a l'ion metallique resulte en un fort accroissement de la vitesse d'hydrolyse des coordinats coordines. Parametres d'activation

  合成和水解巴斯克。协调 a l'ion metallique resulte en un fort accroissement de la vitesse d'hydrolyse des coordinats coordines。参数激活
• Thermally Inert Metal Ammines as Light-Inducible DNA-Targeted Agents. Synthesis, Photochemistry, and Photobiology of a Prototypical Rhodium(III)−Intercalator Conjugate
  作者：Colin G. Barry、Elizabeth C. Turney、Cynthia S. Day、Gilda Saluta、Gregory L. Kucera、Ulrich Bierbach

  DOI：10.1021/ic025744n

  日期：2002.12.1

  spectroscopies and by elemental analyses. The single-crystal X-ray structures of 1(CF(3)SO(3))(3) x 2MeOH, 2(CF(3)SO(3)), and 3(CF(3)SO(3))(4) x H(2)O have been determined. Ligand-field photolysis of thermally inert 1 (lambda(max) = 378 nm) resulted in the aquation of 2 equiv of ammine ligand without noticeable release of sulfur-bound tmtu ((1)H NMR spectroscopy, NH(3)-sensitive electrode measurements). This was

  最近发现的有希望的肿瘤细胞被新型的铂-ac啶共轭物杀死[Martins，ET; 等。J. Med。化学 2001，44，4922]促使我们探索类似的可光活化铑（III）化合物作为光细胞毒性剂的用途。在这里，[Lh（NH（3））（5）L]（n）（+）配合物的设计和合成描述为L = 1,1,3,3-四甲基硫脲（tmtu）或1- [2- （ac啶9-9基氨基）乙基] -1,3,3-三甲基硫脲（2）。基于嵌入剂的DNA-亲和载体配体2是由N-rid啶9-9-基-N'-甲基乙烷-1，2-二胺和二甲基硫代氨基甲酰氯合成的，并分离为氢三氟甲磺酸盐2（CF（3）SO（3） ）。从反应中获得[Rh（NH（3））（5）（tmtu）]（3+）（1）和[Rh（NH（3））（5）（2）]（4+）（3）非配位溶剂中三氟甲磺酰磺酸根络合物[Rh（NH（3））（5）（OSO（2）CF（3））]（CF（3）SO（3））（2）与合适的硫脲的比较
• 140 H/D Isotopomers Identified by Long-Range NMR Hyperfine Shifts in Ruthenium(III) Ammine Complexes. Hyperconjugation in Ru–NH₃ Bonding
  作者：W. Michael Laidlaw、Robert G. Denning、Jennifer C. Green、Jonathan Boyd、Jeffrey Harmer、Amber L. Thompson

  DOI：10.1021/ic400903a

  日期：2013.6.17

  1H NMR spectra of the paramagnetic cyanide-bridged mixed-valence compound [(η5-C5H5)Fe(CO)2(μ-CN)Ru(NH3)5](CF3SO3)3 (I) have been obtained in several solvents. When traces of partially deuterated water are present, instead of a single cyclopentadienyl (Cp) resonance shifted by the hyperfine interaction, numerous well-resolved resonances are observed. The spectra were simulated satisfactorily by giving

  1顺磁性氰化物桥接混合价化合物的1 H NMR光谱[（η 5 -C 5 H ^ 5）的Fe（CO）2（μ-CN）的Ru（NH 3）5 ]（CF 3 SO 3）3（我）已在几种溶剂中获得。当存在痕量的部分氘化水时，而不是单个环戊二烯基（Cp）共振因超精细相互作用而移动，而是观察到许多分辨良好的共振。通过对五种钌（III）胺配体中的氘化形成的140种可能的H / D异构体提供适当的统计权重，可以令人满意地模拟光谱。发生不同共振的扩散是因为（a）在单个胺中每次连续氘代引起的超精细位移（HSs）不同，以及（b）在反式胺中，顺式氨化到氰化物桥的氘引起低场位移。它会导致近场位移，几乎是原来的两倍。所有这些变化都显示出1 / T由于在Ru III中心存在较大的二阶Zeeman效应，还存在依赖于温度的成分，但也存在温度无关的成分。将密度泛函理论计算的结果与金属-金属电荷转移光学跃迁的数据以及溶剂诱导的NMR
• Ground-State, Mode-Dependent Vibronic Coupling in Some Simple, Cyanide-Bridged Transition-Metal Donor−Acceptor Complexes
  作者：Ariel V. Macatangay、Selma Elaine Mazzetto、John F. Endicott

  DOI：10.1021/ic9904743

  日期：1999.11.1

  Patterns of the shifts in bridging cyanide-stretching frequencies have been examined in several fully saturated, mu-cyano, bi- or trimetallic transition-metal donor-acceptor (D/A) complexes. An earlier (Watzky, M. A.; et al. Inorg. Chem. 1996, 35, 3463) inference that the bridging ligand nuclear and the D/A electronic coordinates are entangled is unequivocally demonstrated by the 32 cm(-1) lower frequency of v(CN) for (NH3)(5)Cr(CNRu(NH3)(5))(4+) than for the cyanopentaamminechromium(III) parent. This contrasts to the 41 cm(-1) increase in v(CN) upon ruthenation of (NH3)(5)RhCN2+. More complex behavior has been found for cis and trans trimetallic, donor-acceptor complexes. The symmetric combination of CN- stretching frequencies in trans-Cr-III(MCL)(CNRuII(NH3)(5))(2)(5+) complexes (MCL = a tetraazamacrocyclic ligand) shifts 100-140 cm(-1) to lower frequency, and the antisymmetric combination shifts less than about 30 cm(-1). This contrast in the shifts of the symmetric and the antisymmetric combinations of the CN stretches persists even in a trans complex with no center of symmetry. Two CN stretches have also been resolved in an analogous cis complex, and both shift to lower frequency by about 60 cm(-1). The net shift, summed over all the CN-stretching frequencies, is about the same for the bis-ruthenates of related dicyano complexes. A simple, symmetry-adapted perturbation theory treatment of the coupled vibrations is employed to deal with the opposing effects of the "kinematic" shifts (delta) of v(CN) to higher frequency, expected in the absence of D/A coupling, and shifts (f) of v(CN) to lower frequency that occur when D/A coupling is large. The Rh(III)and Cr(III)-centered complexes correspond to different limits of this model: delta > f and delta < f, respectively. When referenced by means of this model to complexes with Rh(III) acceptors, the shifts in trimetallic complexes, summed over the symmetric and antisymmetric combinations of CN stretches, are about twice those of bimetallic complexes. Similarly referenced and summed over all bridging CN frequencies, the shifts of v(CN) to lower energies are proportional to the oscillator strength of the electronic, donor-acceptor charge-transfer transition. The simplest interpretation of this correlation is that the donor-acceptor coupling in these systems is a function of the nuclear coordinates of the bridging ligand. This behavior of these complexes is semiquantitatively consistent with expectation for CN--mediated vibronic (pseudo-Jahn-Teller) coupling of neighboring donors and accepters, and the observed Ru-II/CN- CT absorption parameters can be used in a simple, semiclassical vibronic model to predict shifts in v(CN) that are in reasonable agreement with those observed.
• Lay, Peter A.; Magnuson, Roy H.; Taube, Henry, Inorganic Chemistry, 1988, vol. 27, # 16, p. 2848 - 2853
  作者：Lay, Peter A.、Magnuson, Roy H.、Taube, Henry

  DOI：——

  日期：——