[η(6)-PhCr(CO)3]2CH2 | 32823-67-9

• 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: [η(6)-PhCr(CO)3]2CH2
• 英文别名: (diphenylmethane){Cr(CO)3}2；benzylbenzene;carbon monoxide;chromium
• CAS: 32823-67-9
• 化学式: C₁₉H₁₂Cr₂O₆
• 分子量: 440.293
• InChiKey: LYWZVLCHSZDMTI-UHFFFAOYSA-N

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

• 作为反应物：
  描述：

  [η(6)-PhCr(CO)3]2CH2 、 potassium tert-butylate 生成 carbon monoxide;chromium;phenylmethylbenzene
  参考文献：
  名称：

  TOP, S.;JAOUEN, G.;SAYER, B. G.;MCGLINCHEY, M. J., J. AMER. CHEM. SOC., 1983, 105, N 21, 6426-6429

  摘要：

  DOI：
• 作为产物：
  描述：

  苯三羰基铬 、 二苯基甲烷 以 neat (no solvent) 为溶剂， 生成 [η(6)-PhCr(CO)3]2CH2
  参考文献：
  名称：

  Ercoli, R.; Calderazzo, f.; Erberloa, A., Chimica e l'Industria (Milan, Italy), 1959, vol. 41, p. 957 - 980

  摘要：

  DOI：

文献信息

• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Cr: Org.Verb., 1.6.1.2.1.1, page 183 - 190
  作者：

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Cr: Org.Verb., 2.7.1.1, page 394 - 398
  作者：

  DOI：——

  日期：——
• Ercoli, R.; Calderazzo, F.; Alberola, A., Chimica e l'Industria (Milan, Italy), 1959, vol. 41, p. 975 - 980
  作者：Ercoli, R.、Calderazzo, F.、Alberola, A.

  DOI：——

  日期：——
• Class II mixed-valent complexes from oxidation of doubly linked (arene)chromium compounds
  作者：William E. Geiger、Norman Van Order、David T. Pierce、Thomas E. Bitterwolf、Arnold L. Rheingold、N. Dennis Chasteen

  DOI：10.1021/om00053a051

  日期：1991.7

  Oxidation of bridged d6-d6 dinuclear (arene)chromium complexes having a second linkage of P2Me4 has been studied by electrochemistry and by IR and ESR spectroscopies. Cyclic voltammetry shows that both (biphenyl)[Cr(CO)2]2(mu-P2Me4) (VII) and (diphenylmethane)[Cr(CO)2]2(mu-P2Me4) (VIII) undergo two separate reversible one-electron oxidations in CH2Cl2, with E-degree's (vs SCE) of +0.32 and +0.69 V (for VII) and +0.23 and +0.52 V (for VIII). A third complex, (diphenylmethane)[Cr(CO)3]2, has a two-electron oxidation wave for which wave-shape analysis yields E-degrees values of +0.845 and +0.890 V. The monocations of VII and VIII were studied at 263 K by IR spectroscopy and shown to have separate Cr(I) and Cr(0) sites. A similar conclusion was drawn from the frozen-solution ESR spectrum of VIII+. These ion are formulated as class II mixed-valent species in the Robin-Day classification scheme. The IR spectrum of (biphenyl)[Cr(CO)2PPh3]2}+ was reinvestigated (see ref 16) at 203 K, and a spectrum similar to those of VII+ and VIII+ was obtained. All three class II mixed-valent cations showed carbonyl IR shifts for the Cr(0) site in the range 11-20 cm-1 as compared with the neutral starting materials. The structures of VII and VIII were crystallographically determined. For VII, crystal data are as follows: C20H22Cr2O4P2, monoclinic, P2(1)/n, a = 13.489 (4) angstrom, b = 11.800 (3) angstrom, c = 13.726 (3) angstrom, beta = 107.22 (3)-degrees, V = 2086.79 (11) angstrom 3, Z = 4, R(F) = 4.09%. The biphenyl ligand is twisted 25.7-degrees to accommodate the gauche conformation of the tetramethyldiphosphine group. A large Cr-Cr separation [4.773 (1) angstrom] appears to preclude a strong metal-metal interaction. For VIII, crystal data are as follows: C21H24Cr2O4P2, monoclinic, C2/c, a = 14.580 (3) angstrom, b = 10.359 (3) angstrom, c = 14.705 (4) angstrom, beta = 108.56 (2)-degrees, V = 2165 (1) angstrom 3, Z = 4, R(F) = 2.90%.
• Mono-, bi- and polynuclear complexes of diphenylmethane with Cr, Co and Ru. Synthesis and investigation by 1H, 13C and 17O NMR
  作者：E. Kolehmainen、K. Laihia、J. Korvola、V.S. Kaganovich、M.I. Rybinskaya、Z.A. Kerzina

  DOI：10.1016/0022-328x(94)24744-4

  日期：1995.1

  Complexes of diphenylmethane (Ph(2)CH(2)): Ph(2)CH(2)Cr(CO)(3) (1), Ph(2)CH(2)[Cr(CO)(3)](2) (2), Ph(2)CH(2)Co(4)CO)(9) (3), Ph(2)CH(2)[Co-4 (CO)(9)](2) (4), Ph(2)CH(2)Cr(CO)(3)Co-4(CO)(9) (5) and Ph(2)CH(2)Ru(6)C(CO)(14) (6) have been prepared and characterized by H-1 and C-13- O-17-NMR spectroscopy. Strong shielding effects are caused by the metal valence electrons on the H-1- and C-13-NMR chemical shifts of aromatic protons and carbons in pi-coordinated ring(s) of diphenylmethane. Generally, the order of these shielding effects on the nuclei of the aromatic rings in H-1-NMR was Co-4(CO)(9) < Ru6C(CO)(14) < Cr(CO)(3) and in C-13-NMR Co-4(CO)(9) < Cr(CO)(3) < Ru6C(CO)(14). In addition, aromatic solvent exhibits an enhanced shielding effect on the H-1-NMR chemical shifts of the rr-coordinated ring induced probably by aromatic solvent induced shifts (ASIS). The 1H-NMR chemical shifts of the exocyclic methylene protons are shielded or deshielded depending on the solvent, the metal and the degree of rr-coordination. These findings can be explained by the varying conformational states adopted by the flexible ligand. The C-13-NMR chemical shifts of the methylene carbon are generally shielded supporting the above explanation. This conformational flexibility can be of extreme importance in controlling the catalytic activity of these organometallic compounds. In chromium and heterobimetallic chromium cobalt derivatives 1, 2 and 5, O-17-NMR spectroscopy proved to have excellent sensitivity comparable with that of C-13-NMR. In cobalt clusters 3 and 4 no O-17-NMR lines were observed, which is probably because of strongly broadened O-17-NMR signals of carbonyls undergoing dynamic exchange. In the ruthenium cluster 6 only one broad O-17-NMR line at 30 degrees C was observed. An inverse relation between the C-13- and O-17-NMR chemical shifts of the carbonyl groups can be explained by the effect of pi-backbonding.