1-Ethynyl-4-[(4-methylphenyl)ethynyl]benzene | 919076-57-6

• 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: 1-Ethynyl-4-[(4-methylphenyl)ethynyl]benzene
• 英文别名: 1-ethynyl-4-[2-(4-methylphenyl)ethynyl]benzene
• CAS: 919076-57-6
• 化学式: C₁₇H₁₂
• 分子量: 216.282
• InChiKey: IXEFOEROIQNSMP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1-Ethynyl-4-[(4-methylphenyl)ethynyl]benzene 、 二(三苯基膦)环戊二烯基氯化钌(II) 在 KF 作用下， 以 甲醇 为溶剂， 以63%的产率得到
  参考文献：
  名称：

  Ligand redox non-innocent behaviour in ruthenium complexes of ethynyl tolans

  摘要：

  A small series of half-sandwich bis(phosphine) ruthenium acetylide complexes [Ru(C CC6H4C CSiMe3) (L-2)Cp'] and [Ru(C=CC6H4C=CC6H4R-4)(L-2)Cp'] (R = OMe, Me, CO2Me, NO2; L-2 = (PPh3)(2), Cp' = Cp; L-2 = dppe; Cp' = Cp*) have been synthesised. One-electron oxidations of these complexes gave the corresponding radical cations, which were significantly more chemically stable in the case of the Ru(dppe) Cp/ derivatives. The representative complex [Ru(C CC6H4C CC6H4OMe-4)(dppe)Cp*] was further examined by spectroelectrochemical (IR and UV-Vis-NIR) methods. The results of the spectroelectrochemical studies, supported by DFT calculations, indicate that the hole is largely supported by the 'RuC CC6H4' moiety in a manner similar to that described previously for simple aryl ethynyl complexes, rather than being more extensively delocalized along the entire conjugated ligand. (C) 2011 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.02.043
• 作为产物：
  描述：

  Trimethyl({4-[(4-methylphenyl)ethynyl]phenyl}ethynyl)silane 、 potassium carbonate 、 甲醇 在 氮 、 水 、 二氯甲烷 、 magnesium sulfate 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 以0.7 g (73.1% yield) of brownish yellow solid was obtained的产率得到1-Ethynyl-4-[(4-methylphenyl)ethynyl]benzene
  参考文献：
  名称：

  Methods for using optical data storage media

  摘要：

  提供了组成、光学数据存储介质和使用光学数据存储的方法。该组成物包括非线性敏化剂，其中包括一种或多种铂乙炔配合物，能够吸收光致辐射并引起上三重态能量转移至反应物，从而在三重激发下发生光化学变化。

  公开号：

  US08124299B2

文献信息

• COMPOSITIONS, OPTICAL DATA STORAGE MEDIA AND METHODS FOR USING THE OPTICAL DATA STORAGE MEDIA
  申请人：Natarajan Arunkumar

  公开号：US20110053054A1

  公开（公告）日：2011-03-03

  There are provided compositions, optical data storage media and methods of using the optical data storage. The compositions comprise a non-linear sensitizer comprising one or more platinum ethynyl complexes capable of absorbing actinic radiation to cause upper triplet energy transfer to a reactant that undergoes a photochemical change upon triplet excitation.

  提供了一种组合物、光学数据存储介质以及使用光学数据存储的方法。所述组合物包括非线性敏化剂，所述非线性敏化剂包括一种或多种铂乙炔配合物，能够吸收光致辐射并引起上能三重态能量转移至反应物，从而在三重激发下发生光化学变化。
• OPTICAL DATA STORAGE MEDIA
  申请人：Natarajan Arunkumar

  公开号：US20120163145A1

  公开（公告）日：2012-06-28

  Optical data storage media for bit-wise recording of a microhologram using an incident radiation at a wavelength of about 405 nm are provided. The optical storage medium includes (a) a non-photopolymer polymer matrix; (b) a non-linear sensitizer comprising a phenylethynyl platinum complex, wherein the non-linear sensitizer is capable of triplet-triplet energy transfer from an upper triplet state (T n ) of the non-linear sensitizer to a lower triplet state (T 1 ) of a reactant, wherein “n” is an integer greater than 1; and (c) a reactant capable of undergoing a chemical change upon the triplet-triplet energy transfer from the non-linear sensitizer, thereby causing a refractive index change in the medium to record the microhologram.

  提供了一种用于比特位记录微全息图的光学数据存储介质，使用波长约为405纳米的入射辐射。该光学存储介质包括：(a)非光聚合物聚合物基质；(b)非线性敏化剂，包括苯基乙炔基铂配合物，其中非线性敏化剂能够从非线性敏化剂的上三重态(Tn)向反应物的下三重态(T1)进行三重-三重能量转移，其中“n”是大于1的整数；以及(c)反应物，能够在非线性敏化剂的三重-三重能量转移引起化学变化，从而引起介质中的折射率变化来记录微全息图。
• Optical data storage media
  申请人：Natarajan Arunkumar

  公开号：US08703388B2

  公开（公告）日：2014-04-22

  Optical data storage media for bit-wise recording of a microhologram using an incident radiation at a wavelength of about 405 nm are provided. The optical storage medium includes (a) a non-photopolymer polymer matrix; (b) a non-linear sensitizer comprising a phenylethynyl platinum complex, wherein the non-linear sensitizer is capable of triplet-triplet energy transfer from an upper triplet state (Tn) of the non-linear sensitizer to a lower triplet state (T1) of a reactant, wherein “n” is an integer greater than 1; and (c) a reactant capable of undergoing a chemical change upon the triplet-triplet energy transfer from the non-linear sensitizer, thereby causing a refractive index change in the medium to record the microhologram.

  提供一种用于以约405纳米波长的入射辐射逐位记录微全息图的光学数据存储介质。该光学存储介质包括：(a)非光聚合物聚合物基质；(b)非线性敏化剂，包括苯乙炔铂配合物，其中非线性敏化剂能够从非线性敏化剂的上三重态(Tn)向反应物的下三重态(T1)进行三重-三重能量转移，其中“n”是大于1的整数；和(c)能够在三重-三重能量转移后发生化学变化的反应物，从而在介质中引起折射率变化以记录微全息图。
• A joint theoretical and experimental study of phenylene–acetylene molecular wires
  作者：R.J. Magyar、S. Tretiak、Y. Gao、H.-L. Wang、A.P. Shreve

  DOI：10.1016/j.cplett.2004.10.155

  日期：2005.1

  The excited state electronic structure of pi conjugated phenylene-acetylene oligomers is calculated using time-dependent density functional theory approaches. The theoretical fluorescence spectra are analyzed in terms of Frank-Condon active nuclear normal modes and shown to compare well with experiment. Theoretical and experimental results for the optical absorption and emission spectra of these molecules indicate that the conjugation length can be significantly reduced by conformational rotations about the triple-bonded carbon links. This has serious implications on the electronic functionalities of polyphenylene-acetylene based molecular wires and their possible use as charge/energy conduits in nano-assemblies. (C) 2004 Elsevier B.V. All rights reserved.