trans-{ruthenium(III)(1,5,9,13-tetramethyl-1,5,9,13-tetraazacyclohexadecane)Cl2}Cl | 101981-49-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: trans-{ruthenium(III)(1,5,9,13-tetramethyl-1,5,9,13-tetraazacyclohexadecane)Cl2}Cl
• 英文别名: trans-[Ru(III)(16-TMC)Cl2]Cl；trans-(ruthenium(III))Cl2(1,5,8,13-tetramethyl-1,5,9,13-tetraazacyclohexadecane)Cl；trans-[Ru(1,5,9,13-tetramethyl-1,5,9,13-tetraazacyclohexadecane)Cl2]Cl；[(1,5,9,13-tetramethyl-1,5,9,13-tetraazacyclohexadecane)RuCl2]Cl；trans-[Ru(16-TMC)Cl2]Cl；1,5,9,13-tetramethyl-1,5,9,13-tetrazacyclohexadecane;trichlororuthenium
• CAS: 101981-49-1；143059-91-0；293299-17-9
• 化学式: C₁₆H₃₆Cl₂N₄Ru*Cl
• 分子量: 491.918
• InChiKey: VXFVAOJELCBWIH-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
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• 环数：
  None
• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  碘 、 trans-{ruthenium(III)(1,5,9,13-tetramethyl-1,5,9,13-tetraazacyclohexadecane)Cl2}Cl 以 乙腈 为溶剂， 以75%的产率得到trans-dichloro(1,5,9,13-tetramethyl-1,5,9,13-tetrazacyclohexadecane-κ(4)N)ruthenium(III) triiodide
  参考文献：
  名称：

  trans-Dichloro(1,5,9,13-tetramethyl-1,5,9,13-tetrazacyclohexadecane-κ⁴N)ruthenium(III) triiodide

  摘要：

  In the title complex, [RuCl2 (C16H36N4)]I-3, the overall symmetry of the centrosymmetric cation is approximately C-2h and the I-3(-) anions are slightly asymmetric. The I ... I distance is 4.313 (1) Angstrom. The cations and the linear anions are arranged in alternate layers and thus form the intercalating structure.

  DOI：

  10.1107/s0108270100007460
• 作为产物：
  描述：

  potassium aquapentachlororuthenate(III) 、 1,5,9,13-tetramethyl-1,5,9,13-tetra-azacyclohexadecane 以 乙醇 为溶剂， 以49%的产率得到trans-{ruthenium(III)(1,5,9,13-tetramethyl-1,5,9,13-tetraazacyclohexadecane)Cl2}Cl
  参考文献：
  名称：

  Che, Chi-Ming; Wong, Kwok-Yin; Poon, Chung-Kwong, Inorganic Chemistry, 1986, vol. 25, # 11, p. 1809 - 1813

  摘要：

  DOI：

文献信息

• Probing the Ruthenium−Cumulene Bonding Interaction:  Synthesis and Spectroscopic Studies of Vinylidene− and Allenylidene−Ruthenium Complexes Supported by Tetradentate Macrocyclic Tertiary Amine and Comparisons with Diphosphine Analogues of Ruthenium and Osmium
  作者：Chun-Yuen Wong、Chi-Ming Che、Michael C. W. Chan、King-Hung Leung、David Lee Phillips、Nianyong Zhu

  DOI：10.1021/ja0380648

  日期：2004.3.3

  The synthesis and spectroscopic properties of trans-[Cl(16-TMC)Ru[double bond]C[double bond]CHR]PF(6) (16-TMC = 1,5,9,13-tetramethyl-1,5,9,13-tetraazacyclohexadecane, R = C(6)H(4)X-4, X = H (1), Cl (2), Me (3), OMe (4); R = CHPh(2) (5)), trans-[Cl(16-TMC)Ru[double bond]C[double bond]C[double bond]C(C(6)H(4)X-4)(2)]PF(6) (X = H (6), Cl (7), Me (8), OMe (9)), and trans-[Cl(dppm)(2)M[double bond]C[double

  反式-[Cl(16-TMC)Ru[双键]C[双键]CHR]PF(6) (16-TMC = 1,5,9,13-tetramethyl-1,5, 9,13-四氮杂环十六烷，R = C(6)H(4)X-4, X = H (1), Cl (2), Me (3), OMe (4); R = CHPh(2) (5 ))，反式-[Cl(16-TMC)Ru[双键]C[双键]C[双键]C(C(6)H(4)X-4)(2)]PF(6)（ X = H (6), Cl (7), Me (8), OMe (9)), and trans-[Cl(dppm)(2)M[双键]C[双键]C[双键]C (C(6)H(4)X-4)(2)]PF(6) (M = Ru, X = H (10), Cl (11), Me (12); M = Os, X = H (13)、Cl (14)、Me (15)) 进行了描述。1, 5, 6 和 8
• Molecular rods based on a ruthenium(ii) macrocyclic bis(acetylide) building block
  作者：Mei-Yuk Choi、Michael C. W. Chan、Kung-Kai Cheung、Chi-Ming Che、Shie-Ming Peng

  DOI：10.1039/b002674n

  日期：——

  The prototype of an organometallic linear-rod building block incorporating the saturated σ-donating 16-TMC macrocycle, peripheral pyridine moieties for versatile ligation, and the π-conjugated trans-[Ru(CCpy-4)2] fragment along the molecular axis, is described and applied to the assembly of trimetallic arrays.

  介绍了一种有机金属线性杆构件的原型，该构件包含饱和的σ供体 16-TMC 大环、用于多功能连接的外围吡啶分子以及沿分子轴的π共轭反式-[Ru(CCpy-4)2] 片段，并将其应用于三金属阵列的组装。
• Thermal and Photochemical Reactions of Azidoruthenium(III) Complexes of Macrocyclic Tertiary Amines and the Structure of the (Phosphoraniminato)ruthenium(III) Complex <i>trans</i> ‐[Ru(14‐TMC)(N ₃ )(NPPh ₃ )] ⁺
  作者：Chi‐Ming Ho、Hiu‐Chi Leung、Shuixing Wu、Kam‐Hung Low、Zhenyang Lin、Chi‐Ming Che

  DOI：10.1002/ejic.201100771

  日期：2012.1

  and cis-[Ru(Tet-Me6)(N3)(MeCN)]+ (6). Complex 1 reacted with PPh3, by a nitrogen atom transfer reaction, to give trans-[Ru(14-TMC)(N3)(NPPh3)]+ (3) in 80 % yield. The crystal structures of 2e(PF6), 3(PF6) and 5b(ClO4) have been determined by X-ray diffraction analysis. Complex 3 is the first structurally characterized (phosphoraniminato)ruthenium(III) complex with Ru–N distances of 1.991(7)–2.014(6)

  双(叠氮基)钌(III)配合物，反式-[Ru(L)(N3)2]+[L=14-TMC(1)和16-TMC(4)]已经制备。这些配合物在 RCN (R = Me, Bu, Ph, 4-MePh, 2-MeOPh) 溶液中容易发生热分解或光分解，以产生相应的叠氮钌 (II) 配合物反式-[Ru(L)(N3)(RCN )]+ [L = 14-TMC, R = Me (2a), Bu (2b), Ph (2c), 4-MePh (2d), 2-MeOPh (2e); L = 16-TMC, R = Me (5a), = Ph (5b)] 和顺-[Ru(Tet-Me6)(N3)(MeCN)]+ (6)。配合物 1 通过氮原子转移反应与 PPh3 反应，以 80% 的产率得到反式-[Ru(14-TMC)(N3)(NPPh3)]+ (3)。2e(PF6)、3(PF6) 和5b(ClO4) 的晶体结构已通过X
• Spectroscopic Studies and Structures of<i>trans</i>-Ruthenium(II) and Ruthenium(III) Bis(cyanide) Complexes Supported by a Tetradentate Macrocyclic Tertiary Amine Ligand
  作者：Chun-Yuen Wong、Fu-Wa Lee、Chi-Ming Che、Yung Fong Cheng、David Lee Phillips、Nianyong Zhu

  DOI：10.1021/ic800743a

  日期：2008.11.17

  the nature of associated electronic transition(s). The 230 nm band of 1 has been probed by resonance Raman spectroscopy. Simulations of the absorption band and the resonance Raman intensities show that the nominal nuC[triple bond]N stretch mode accounts for ca. 66% of the total vibrational reorganization energy. A change of nominal bond order for the cyanide ligand from 3 to 2.5 is estimated upon the

  反式-[Ru（16-TMC）（C [三键] N）2]（1; 16-TMC = 1,5,9,13-四甲基-1,5,9,13-四氮杂环十六烷）的制备方法是锌粉存在下反式-[Ru（16-TMC）Cl2] Cl与KCN的反应 用溴氧化1，得到反式-[Ru（16-TMC）（CN）2] +，为PF6盐（2.PF6）。1和2的Ru-C / CN距离分别为2.061（4）/1.130（5）和2.069（5）/1.140（7）A。两种配合物均在相对于FeCp2 + / 0的0.10 V下显示Ru（III / II）对。1的UV-vis吸收光谱主要是在lambda（max）= 230 nm处强烈的高能量吸收，这主要源自dpi（RuII）-> pi *（N [三键] C-Ru- C [三键] N）电荷转移跃迁。配合物2在lambda（max）处显示强烈的吸收带pi *（N [三键] C-Ru-C [三键] N）和sigma（-CN）->
• Isocyanide ligation at ruthenium(II) complexes with chelating tertiary amine and porphyrin ligands. Structural and electrochemical studies
  作者：Fu-Wa Lee、Mei-Yuk Choi、Kung-Kai Cheung、Chi-Ming Che

  DOI：10.1016/s0022-328x(99)00596-3

  日期：2000.1

  quasi-reversible Ru(III/II) couple at potentials ranging from +0.65 to +1.42 V vs. FeCp2+/0. The E1/2(RuIII/II) of 5·(PF6)2 (+1.42 V vs. FeCp2+/0) is notably high compared with that of 4·(ClO4)2 (+0.65 V), reflecting the strong π-back-bonding in the cis-bis(tert-butyl isocyanide)ruthenium(II) complex. Irrespective of the overall charge, the cationic complex 4 and the neutral complexes 6–8 all exhibit a virtually

  [Ru（Me 3 TAcn）（PMe 3）2（O 2 CCF 3）] PF 6与一当量的t -BuNC或4-氰基-1-异氰基-2,6-二异丙基苯（L'）回流反应1,2-二氯乙烷制得[Ru（Me 3 TAcn）（PMe 3）（t -BuNC）（O 2 CCF 3）] PF 6（1）·PF 6和[Ru（Me 3 TAcn）（PMe 3）（ L'）（O 2 CCF 3）] PF 6（3）·PF 6， 分别。在的锌汞齐的存在下，反应中的[Ru（ME 3 TACN）（H 2 O）2（O 2 CCF 3）]（OTF）2，反式的[Ru（16-TMC）氯2 ] Cl和顺式- [Ru（2,2,2-tet-Me 6）Cl 2 ] PF 6与过量的t -BuNC在1,2-二氯乙烷中进行阴离子置换，得到[Ru（Me 3 TAcn）（t -BuNC ）2（O 2 CCF 3）] PF 6（2）·PF 6，反式- [茹（16-TMC）（吨-BuNC）2