phenol*argon | 162228-31-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: phenol*argon
• 英文别名: phenol*Ar complex；Argon;phenol；argon;phenol
• CAS: 162228-31-1
• 化学式: Ar*C₆H₆O
• 分子量: 134.061
• InChiKey: YECDGJDAVOYGPJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.39
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  氩 、 苯酚 以 neat (no solvent) 为溶剂， 生成 phenol*argon
  参考文献：
  名称：

  在苯酚·Ar配合物上证明了用于同步，高分辨率ZEKE和MATI光谱学的新检测方案

  摘要：

  我们为高分辨率质谱分析阈值电离（MATI）光谱提供了一种新的检测方案，该方案利用了高n Rydberg态的分数斯塔克态选择性电场电离。该方法代表了相对于以前的MATI光谱方法的重大进步，MATI光谱的特点是与零动能（ZEKE）光电子光谱相比，其分辨率较低。此外，该方案可用于同步获取源自相同里德堡态的电子和离子，从而有助于获取同步的高分辨率ZEKE和MATI光谱。我们通过获得苯酚·Ar配合物的MATI离解谱来证明该技术，该离解谱提供364±13、397±13和535±3 cm -1的离解能分别针对S 0，S 1和D 0状态。

  DOI：

  10.1016/s0009-2614(99)01193-8

文献信息

• Properties of some Rare Gas Clathrate Compounds.
  作者：P. H. Lahr、H. L. Williams

  DOI：10.1021/j150579a024

  日期：1959.9
• Fragmentation Energetics of the Phenol⁺···Ar₃ Cation Cluster
  作者：Antonio Armentano、Mikko Riese、Mehran Taherkhani、Med Ben Yezzar、Klaus Müller-Dethlefs、Masaaki Fujii、Otto Dopfer

  DOI：10.1021/jp102491b

  日期：2010.10.28

  The various dissociation thresholds of phenol(+)center dot center dot center dot Ar-3 complexes for the consecutive loss of all three Ar ligands were measured in a molecular beam using resonant photoionization efficiency and mass analyzed threshold ionization spectroscopy via excitation of the first excited singlet state (S-1). The adiabatic ionization energy is derived as 68077 +/- 15 cm(-1). The analysis of the dissociation thresholds demonstrate that all three Ar ligands in the neutral phenol center dot center dot center dot Ar-3 tetramer are attached to the aromatic ring via pi-bonding, denoted phenol center dot center dot center dot Ar-3(3 pi). The value of the dissociation threshold for the loss of one Ar ligand from phenol(+)center dot center dot center dot Ar-3(3 pi), similar to 190 cm(-1), is significantly lower than the binding energy measured for the pi-bonded Ar ligand in the phenol(+)center dot center dot center dot Ar(pi) dimer, D-0 = 535 +/- 3 cm(-1). This difference is rationalized by an ionization-induced pi -> H isomerization process occurring prior to dissociation, that is, one Ar atom in phenol+center dot center dot center dot Ar-3(3 pi) moves to the OH binding site, leading to a structure with one H-bonded and 2 pi-bonded ligands, denoted phenol(+)center dot center dot center dot Ar-3(H/2 pi). The dissociation thresholds for the loss of two and three Ar atoms are also reported as 860 and 1730 cm(-1). From these values, the binding energy of the H-bound Ar atom can be estimated as 870 cm(-1).
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: He: Edelgasverb., 2.6.2.1, page 134 - 135
  作者：

  DOI：——

  日期：——
• FULLERENES AND DERIVATIVES THEREOF AND IMPROVED METHODS OF MAKING FULLERENES SUITABLE FOR ORGANIC PHOTOVOLTAIC DEVICES
  申请人：Plextronics, Inc.

  公开号：EP2242719A2

  公开（公告）日：2010-10-27
• [EN] ORGANIC PHOTOVOLTAIC DEVICES COMPRISING FULLERENES AND DERIVATIVES THEREOF AND IMPROVED METHODES OF MAKING FULLERENE DERIVATIVES<br/>[FR] DISPOSITIFS PHOTOVOLTAÏQUES ORGANIQUES COMPRENANT DES FULLERÈNES ET DÉRIVÉS DE CEUX-CI, ET PROCÉDÉS AMÉLIORÉS DE PRÉPARATION DE CES DÉRIVÉS
  申请人：PLEXTRONICS INC

  公开号：WO2009086210A2

  公开（公告）日：2009-07-09

  Improved methods of fullerene derivative production including use of less solvent, or elimination of solvent, as well as use of shorter reaction times and higher reaction temperatures. Methods useful for production of bis-, tris-, tetra-, penta-, and hexa- fullerene derivatives. Indene is a preferred derivative. The derivatives used in active layers for solar cell applications.