bis(η6-1,2,4,5-tetramethylbenzene)chromium | 57820-98-1

• 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: bis(η6-1,2,4,5-tetramethylbenzene)chromium
• 英文别名: bis(1,2,4,5-tetramethylbenzene)chromium；bis(η-durene)chromium(0)；{1,2,4,5-(CH3)4C6H2}2Cr；chromium;1,2,4,5-tetramethylbenzene
• CAS: 57820-98-1
• 化学式: C₂₀H₂₈Cr
• 分子量: 320.438
• InChiKey: GOBGHAYATPHUAB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.84
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 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：

  bis(η6-1,2,4,5-tetramethylbenzene)chromium 在 air 、 water 作用下， 以 not given 为溶剂， 生成 bis(η-durene)chromium(I)(1+)
  参考文献：
  名称：

  Rydberg spectra of bis(η6-benzene)chromium derivatives

  摘要：

  The gas-phase electronic absorption spectra of (eta(6)-1,2,4-C(6)H(3)Me(3))(2)Cr (1) and (eta(6)-1,2,4,5-C(6)H(2)Me(4))(2)Cr (2) have been measured for the first time and compared with those recorded in n-pentane solution. The gas-phase spectra of both compounds show transitions from the non-bonding chromium 3d(z2) orbital to molecular Rydberg s, p and d levels. The first ionisation potentials have been determined from the Rydberg frequencies as 4.994 +/- 0.009 and 4.862 +/- 0.009 eV for 1 and 2, respectively, Detailed assignments of Rydberg bands have been made on the basis of analysis of the quantum defects and term values. The Rydberg structures agree with the C, C, or C, conformation for I and the D., geometry for 2 in the gas phase. In crystal, however, the molecule of 2 appears to adopt an eclipsed conformation close to D, as indicated by the X-ray diffraction. The influence of ring methylation on the Rydberg term values has been analysed for the first time. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(02)01128-2
• 作为产物：
  描述：

  bis(η-durene)chromium(I)(1+) 在 Al 、 NaOH 作用下， 以 水 为溶剂， 生成 bis(η6-1,2,4,5-tetramethylbenzene)chromium
  参考文献：
  名称：

  Rydberg spectra of bis(η6-benzene)chromium derivatives

  摘要：

  The gas-phase electronic absorption spectra of (eta(6)-1,2,4-C(6)H(3)Me(3))(2)Cr (1) and (eta(6)-1,2,4,5-C(6)H(2)Me(4))(2)Cr (2) have been measured for the first time and compared with those recorded in n-pentane solution. The gas-phase spectra of both compounds show transitions from the non-bonding chromium 3d(z2) orbital to molecular Rydberg s, p and d levels. The first ionisation potentials have been determined from the Rydberg frequencies as 4.994 +/- 0.009 and 4.862 +/- 0.009 eV for 1 and 2, respectively, Detailed assignments of Rydberg bands have been made on the basis of analysis of the quantum defects and term values. The Rydberg structures agree with the C, C, or C, conformation for I and the D., geometry for 2 in the gas phase. In crystal, however, the molecule of 2 appears to adopt an eclipsed conformation close to D, as indicated by the X-ray diffraction. The influence of ring methylation on the Rydberg term values has been analysed for the first time. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(02)01128-2

文献信息

• Preparation of sodium and bisarenechromium fullendes containing esters of ethylene glycol, diethylene glycol, crown ethers, methoxyarenes, and N-ethyl-N-phenylbenzamide
  作者：G. V. Markin、S. Yu. Ketkov、M. A. Lopatin、V. A. Kuropatov、A. S. Shavyrin、A. A. Belikov

  DOI：10.1007/s11172-020-2828-1

  日期：2020.4

  The sodium and bis(arene)chromium salts of monosubstituted hydrofullerides, containing bis(3,4-dimethoxyphenyl)phenylmethane, 2,6-bis(4-methoxyphenyl)-4-phenylpyridine, 15-crown-5, N-ethyl-N-phenylbenzamide moieties, were synthesized and theirs NIR spectrum were investigated.

  单取代氢富勒烯的钠盐和双（芳烃）铬盐，包含双（3,4-二甲氧基苯基）苯基甲烷、2,6-双（4-甲氧基苯基）-4-苯基吡啶、15-冠-5、N-乙基-N合成了-苯基苯甲酰胺部分，并研究了它们的近红外光谱。
• Synthesis and properties of ion-radical salts based on bis(arene)chromium complexes and fullerene derivatives
  作者：G. V. Markin、S. Yu. Ketkov、M. A. Lopatin、V. A. Kuropatov、A. S. Shavyrin、V. K. Cherkasov、G. A. Domrachev

  DOI：10.1007/s11172-014-0521-y

  日期：2014.4

  A reaction of bis(arene)chromium complexes with [60]fullerene derivatives leads to ionradical bis(arene)chromium [60]fullerides. Bis(1,2,4,5-tetramethylbenzene)chromium [70]fulleride was synthesized similarly. The compounds obtained were characterized by spectroscopic methods, their thermal decomposition was studied and thermal stability of their dimers was evaluated.

  双(芳烃)铬配合物与[60]富勒烯衍生物的反应产生离子基双(芳烃)铬[60]富勒烯化物。双(1,2,4,5-四甲基苯)铬[70]富勒烯的合成方法类似。获得的化合物通过光谱方法表征，研究了它们的热分解并评估了它们的二聚体的热稳定性。
• Markle, Richard J.; Pettijohn, Ted M.; Lagowski, Organometallics, 1985, vol. 4, # 9, p. 1529 - 1531
  作者：Markle, Richard J.、Pettijohn, Ted M.、Lagowski

  DOI：——

  日期：——
• Elschenbroich, Christoph; Moeckel, Reinhart; Zenneck, Ulrich, Berichte der Bunsen-Gesellschaft
  作者：Elschenbroich, Christoph、Moeckel, Reinhart、Zenneck, Ulrich、Clack, Denis W.

  DOI：——

  日期：——
• Rydberg spectra of bis(η6-benzene)chromium derivatives
  作者：Sergey Yu. Ketkov、Georgy K. Fukin、Lev N. Zakharov、Jennifer C. Green、Gerald Clancy

  DOI：10.1016/s0022-328x(02)01128-2

  日期：2002.4

  The gas-phase electronic absorption spectra of (eta(6)-1,2,4-C(6)H(3)Me(3))(2)Cr (1) and (eta(6)-1,2,4,5-C(6)H(2)Me(4))(2)Cr (2) have been measured for the first time and compared with those recorded in n-pentane solution. The gas-phase spectra of both compounds show transitions from the non-bonding chromium 3d(z2) orbital to molecular Rydberg s, p and d levels. The first ionisation potentials have been determined from the Rydberg frequencies as 4.994 +/- 0.009 and 4.862 +/- 0.009 eV for 1 and 2, respectively, Detailed assignments of Rydberg bands have been made on the basis of analysis of the quantum defects and term values. The Rydberg structures agree with the C, C, or C, conformation for I and the D., geometry for 2 in the gas phase. In crystal, however, the molecule of 2 appears to adopt an eclipsed conformation close to D, as indicated by the X-ray diffraction. The influence of ring methylation on the Rydberg term values has been analysed for the first time. (C) 2002 Elsevier Science B.V. All rights reserved.