[CpCoSe2C6H4]2 | 503619-77-0

• 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: [CpCoSe2C6H4]2
• 英文别名: benzene-1,2-diselenolate;cobalt(3+);cyclopenta-1,3-diene
• CAS: 503619-77-0
• 化学式: C₂₂H₁₈Co₂Se₄
• 分子量: 716.211
• InChiKey: VTLSOJXKIQVLDG-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  1.35
• 重原子数：
  28
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [CpCoSe2C6H4]2 生成
  参考文献：
  名称：

  Synthesis, Structure, and Dissociation Equilibrium of [Co(η⁵-C₅H₅)(Se₂C₆H₄)]₂, a Novel Metalladiselenolene Complex

  摘要：

  A (phenylenediselenolato)cobalt complex dimer, [Co(eta(5)-C5H5)(Se2C6H4)](2) (1), was synthesized by a reaction of carbonyl(eta(5)-cyclopentadienyl)diiodocobalt(III) ([Co(eta(5)-C5H5)I-2(CO)]) with poly(o-diselenobenzene). The structure of 1, determined by single-crystal X-ray crystallography, was found to be located in the space group of P2(1)/c (No. 14), with a = 9.3346(5) Angstrom, b = 11.6477(g) Angstrom, c = 10.2179(5) Angstrom, beta = 111.491(1)degrees, and Z= 2. Covalent Co-Se bonds bridge the metal centers. In solution, dimers and monomers coexist at equilibrium. The dissociation equilibrium constant of 1 in solution was evaluated by H-1 NMR spectra at several temperatures between 20 and 80degreesC. Dissociation enthalpies/entropies were found to be 50/110, 60/120, and 88 W mol(-1)/200 J K-1 mol(-1) in dimethyl sulfoxide-d(6), benzene-d(6), and chloroform-d(1), respectively.

  DOI：

  10.1021/ic025865n
• 作为产物：
  描述：

  carbonyl(η-5-cyclopentadienyl)diiodocobalt(III) 、 poly(o-phenylenediselenide) 在 NaBH₄ 作用下， 以 甲醇 为溶剂， 以44%的产率得到[CpCoSe2C6H4]2
  参考文献：
  名称：

  Synthesis, Structure, and Dissociation Equilibrium of [Co(η⁵-C₅H₅)(Se₂C₆H₄)]₂, a Novel Metalladiselenolene Complex

  摘要：

  A (phenylenediselenolato)cobalt complex dimer, [Co(eta(5)-C5H5)(Se2C6H4)](2) (1), was synthesized by a reaction of carbonyl(eta(5)-cyclopentadienyl)diiodocobalt(III) ([Co(eta(5)-C5H5)I-2(CO)]) with poly(o-diselenobenzene). The structure of 1, determined by single-crystal X-ray crystallography, was found to be located in the space group of P2(1)/c (No. 14), with a = 9.3346(5) Angstrom, b = 11.6477(g) Angstrom, c = 10.2179(5) Angstrom, beta = 111.491(1)degrees, and Z= 2. Covalent Co-Se bonds bridge the metal centers. In solution, dimers and monomers coexist at equilibrium. The dissociation equilibrium constant of 1 in solution was evaluated by H-1 NMR spectra at several temperatures between 20 and 80degreesC. Dissociation enthalpies/entropies were found to be 50/110, 60/120, and 88 W mol(-1)/200 J K-1 mol(-1) in dimethyl sulfoxide-d(6), benzene-d(6), and chloroform-d(1), respectively.

  DOI：

  10.1021/ic025865n

文献信息

• Synthesis of Heterometal Cluster Complexes by the Reaction of Cobaltadichalcogenolato Complexes with Groups 6 and 8 Metal Carbonyls
  作者：Masaki Murata、Satoru Habe、Shingo Araki、Kosuke Namiki、Teppei Yamada、Norikiyo Nakagawa、Takuya Nankawa、Masayuki Nihei、Jun Mizutani、Masato Kurihara、Hiroshi Nishihara

  DOI：10.1021/ic0513282

  日期：2006.2.1

  Metalladichalcogenolate cluster complexes [CpCo(S2C6H4)}2Mo(CO)2] (Cp = eta(5)-C5H5) (3), [CpCo(S2C6H4)}2W(CO)2] (4), [CpCo(S2C6H4)Fe(CO)3] (5), [CpCo(S2C6H4)Ru(CO)2(P(t)Bu3)] (6), [CpCo(Se2C6H4)}2Mo(CO)2] (7), and [CpCo(Se2C6H4)}(Se2C6H4)W(CO)2] (8) were synthesized by the reaction of [CpCo(E2C6H4)] (E = S, Se) with [M(CO)3(py)3] (M = Mo, W), [Fe(CO)5], or [Ru(CO)3(P(t)Bu3)2], and their crystal structures and physical

  金属硫氰酸盐簇复合物[CpCo（S2C6H4）} 2Mo（CO）2]（Cp = eta（5）-C5H5）（3），[CpCo（S2 ）} 2W（CO）2]（4），[CpCo（ S2 ）Fe（CO）3]（5），[CpCo（S2 ）Ru（CO）2（P（t）Bu3）]（6），[CpCo（SE2 ）} 2Mo（CO）2]（7） ，通过[CpCo（E2 ）]（E = S，Se）与[M（CO）3（py）的反应合成了[CpCo（SE2 ）}（SE2 ）W（CO）2]（8） 3]（M ＝ Mo，W），[Fe（CO）5]或[Ru（CO）3（P（t）Bu 3）2]，并研究了它们的晶体结构和物理性质。在三核第6组金属-Co配合物系列中，3、4和7具有相似的结构，但是W-Se配合物8从硫类似物4中消除了一个钴原子和一个环戊二烯基，并且不满足18电子规则。1 H NM