Co[C60(4-n-BuC6H4)5][(S2C2)(CN)2] | 1186071-79-3

• 英文名称: Co[C60(4-n-BuC6H4)5][(S2C2)(CN)2]
• CAS: 1186071-79-3
• 化学式: C₁₁₄H₆₅CoN₂S₂
• 分子量: 1585.91
• InChiKey: DQSYYDPXIMTBOF-ACDFEESNSA-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

• 作为产物：
  描述：

  [(η5-C60(C6H4nBu)5)Co(CO)2] 、 4,5-二氰-1,3-二硫酚-2-酮 以 xylene 为溶剂， 以74%的产率得到Co[C60(4-n-BuC6H4)5][(S2C2)(CN)2]
  参考文献：
  名称：

  π-Conjugated Multidonor/Acceptor Arrays of Fullerene−Cobaltadithiolene−Tetrathiafulvalene: From Synthesis and Structure to Electronic Interactions

  摘要：

  The synthesis, structure, photoelectrochemical behavior, and nonlinear optical (NLO) properties of a symmetric acceptor-acceptor-donor-acceptor-acceptor array, C-60-Co-TTF-Co-C-60, have been described. The precursors, namely, cobalt dicarbonyl complexes Co(C60Ar5)(CO)(2) were synthesized from the penta(organo)[60]fullerenes, C60Ar5H, as starting materials. In the next step, two cobalt-fullerene complexes were connected to a tetrathiafulvalene (TTF) tetrathiolate bridge to obtain the C-60-Co-TTF-Co-C-60 array. In addition, the monomeric compounds, Co(C60Ar5)(S2C2R2) (R = CO2Me and CN) and Co(C60Ar5)(S2C2S2C = CS2C2R2) were synthesized as references. The C-60-Co-TTF-Co-C-60 array exhibits very strong transitions in the near-infrared region (lambda(max) = 1,100 nm, epsilon = 30 000 M-1.cm(-1)) due to a ligand-to-metal-charge-transfer (LMCT) transition and six reversible electron transfer processes. In the crystal, a fullerene/TTF-layered packing structure is evident. Femtosecond flash photolysis revealed that photoexcitation of the array results in a charge separated state involving the strongly interacting cobaltadithiolene and TTF constituents which electronically relax via a resonance effect that extends all throughout the acceptor parts of the C-60-Co-TTF-Co-C-60 array. The third-order NLO measurement of the array gave the magnitude of the third-order nonlinear susceptibility, vertical bar chi((3))vertical bar, values to be 9.28 x 10(-12) esu, suggesting the pi-conjugation of donors and acceptors in the array.

  DOI：

  10.1021/ja902312q