tetrabutylammonium [Ni(4a,6,7,7a-5H-cyclopenta[b]-1,4-dithiin-2,3-dithiolate)2] | 852171-85-8

• 分子结构分类: 有机化合物
• 英文名称: tetrabutylammonium [Ni(4a,6,7,7a-5H-cyclopenta[b]-1,4-dithiin-2,3-dithiolate)2]
• CAS: 852171-85-8
• 化学式: C₁₄H₁₆NiS₈*C₁₆H₃₆N
• 分子量: 741.968
• InChiKey: XMROJYJRUYRFQH-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  10.22
• 重原子数：
  40.0
• 可旋转键数：
  12.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  tetrabutylammonium [Ni(4a,6,7,7a-5H-cyclopenta[b]-1,4-dithiin-2,3-dithiolate)2] 在 iodine 作用下， 以 丙酮 为溶剂， 以80%的产率得到[Ni(4a,6,7,7a-5H-cyclopenta[b]-1,4-dithiin-2,3-dithiolate)2]
  参考文献：
  名称：

  Synthesis, characterization and optical limiting effect of nickel complexes of multi-sulfur 1,2-dithiolene

  摘要：

  Three nickel complexes with a new multi-sulfur 1,2-dithiolene ligand, (n-Bu4N)[Ni(cddt)(2)] 1, (Ph4P)[Ni(cddt)(2)] 2 and [Ni(cddt)(2)] 3 (cddt=4a, 6, 7, 7a-5H-cyclopenta[b]-1,4-dithiin-2,3-dithiolate), have been synthesized and characterized by electrochemical measurements, IR, EPR and UV-Vis-NIR spectroscopies. The crystal structure of complex 2 is determined. Their optical nonlinearities are measured by the Z-scan technique with an 8 ns pulsed laser at 532 nm and all exhibit NLO absorptive abilities. Complexes 1 and 2 both exhibit effective self-defocusing performance (n(2) = -5.81 x 10(-10) esu for 1 and -4.51 x 10(-10) esu for 2). The optical limiting (OL) effects were observed with nanosecond and picosecond laser pulses. The OL capability of complex 3 is superior to C-60 at the same experimental condition in ns measurements. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.jpcs.2004.09.015
• 作为产物：
  描述：

  四丁基溴化铵 、 nickel(II) chloride hexahydrate 、 potassium 4a,6,7,7a-5H-cyclopenta[b]-1,4-dithiin-2,3-dithiolate 以 甲醇 为溶剂， 以70%的产率得到tetrabutylammonium [Ni(4a,6,7,7a-5H-cyclopenta[b]-1,4-dithiin-2,3-dithiolate)2]
  参考文献：
  名称：

  Synthesis, characterization and optical limiting effect of nickel complexes of multi-sulfur 1,2-dithiolene

  摘要：

  Three nickel complexes with a new multi-sulfur 1,2-dithiolene ligand, (n-Bu4N)[Ni(cddt)(2)] 1, (Ph4P)[Ni(cddt)(2)] 2 and [Ni(cddt)(2)] 3 (cddt=4a, 6, 7, 7a-5H-cyclopenta[b]-1,4-dithiin-2,3-dithiolate), have been synthesized and characterized by electrochemical measurements, IR, EPR and UV-Vis-NIR spectroscopies. The crystal structure of complex 2 is determined. Their optical nonlinearities are measured by the Z-scan technique with an 8 ns pulsed laser at 532 nm and all exhibit NLO absorptive abilities. Complexes 1 and 2 both exhibit effective self-defocusing performance (n(2) = -5.81 x 10(-10) esu for 1 and -4.51 x 10(-10) esu for 2). The optical limiting (OL) effects were observed with nanosecond and picosecond laser pulses. The OL capability of complex 3 is superior to C-60 at the same experimental condition in ns measurements. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.jpcs.2004.09.015