Cr(CO)5(1-hexene) | 132069-57-9

• 英文名称: Cr(CO)5(1-hexene)
• 英文别名: pentacarbonyl(η2-pent-1-ene)chromium(0)；η2-(1-hexene)pentacarbonylchromium(0)；(η(2)-hexene)pentacarbonylchromium(0)；(η(2)-1-hexene)Cr(CO)5；Cr(CO)5(η(2)-1-hexene)；{(η2-1-hexene)Cr(CO)5}
• CAS: 132069-57-9
• 化学式: C₅CrO₅*C₆H₁₂
• 分子量: 276.209
• InChiKey: NULGKEKXOPVUET-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

• 作为产物：
  描述：

  1-己烯 、 (η(2)-benzene)Cr(CO)5 以 苯 为溶剂， 生成 Cr(CO)5(1-hexene)
  参考文献：
  名称：

  Zhang, Shulin; Dobson, Gerard R.; Zang, Volker, Inorganic Chemistry, 1990, vol. 29, # 18, p. 3477 - 3482

  摘要：

  DOI：

文献信息

• Bonding of halogenated arenes in photogenerated (arene)M(CO)5 complexes (M = Cr, Mo, W)
  作者：Santino Ladogana、Gerard R. Dobson、Jaap P. Smit

  DOI：10.1016/s0020-1693(98)00026-7

  日期：1998.9

  Abstract Detailed kinetics studies of arene displacement by the trapping nucleophile, 1-hexene, from (haloarene)Cr(CO) 5 complexes (haloarene = X-arene; X = F, Cl, Br) and selected Mo and W analogues generated by pulsed laser flash photolysis have been conducted. All reactions obey a ‘reversible dissociation-competition for the [M(CO) 5 ] intermediate’ mechanism. The systematic variations in rate constants

  摘要从（卤代芳烃）Cr（CO）5配合物（卤代芳烃= X-芳烃; X = F，Cl，Br）以及通过脉冲产生的选定Mo和W类似物捕获亲核体1-己烯置换芳烃的详细动力学研究已经进行了激光闪光光解。所有反应均遵循“ [M（CO）5]中间体的可逆离解竞争”机制。在存在陷阱的情况下卤代芳烃单分子解离的速率常数和活化参数的系统变化强烈支持了Cl和Br与Cr的配位共价键结合，其中Cr-Br键比Cr-Cl键强。相反，证据表明，氟苯的配位更弱，通过芳烃环边缘结合。配合物的羰基拉伸频率可以诊断键的类型，并且活化焓按W＞ Mo＞ Cr的顺序降低。未能观察到一个以上的反应途径，其中在光解过程中会生成一种以上的配合物，这可能暗示了非常快速的键合异构化，从而提供了热力学上最稳定的（X-arene）Cr（CO）5配合物。
• Application of time-resolved photoacoustic calorimetry to CrL bond enthalpies in Cr(CO)5L
  作者：Gilbert K. Yang、Veronica Vaida、Kevin S. Peters

  DOI：10.1016/s0277-5387(00)81787-8

  日期：1988.1

  Using time-resolved photoacoustic calorimetry, the CrL bond enthalpies in Cr(CO)5L for a variety of ligands have been measured. Also, the enthalpy and entropy of activation for the displacement of heptane in Cr(CO)5(heptane) by pyridine and 2-picoline have been determined.

  使用时间分辨光声量热法，已测量了各种配体在Cr（CO）5L中的CrL键焓。此外，已经确定了吡啶和2-甲基吡啶取代Cr（CO）5（庚烷）中庚烷的活化焓和熵。
• Strength of the metal-ligand bond in LCr(CO)5 measured by photoacoustic calorimetry
  作者：Gilbert K. Yang、Kevin S. Peters、Veronica Vaida

  DOI：10.1016/0009-2614(86)87100-7

  日期：1986.4

  The Cr-L bond strengths for Cr(CO)5L in heptane have been determined using photoacoustic calorimetry. For L = CO, PBu3, CH3CN and THF, ΔHBDE = 27.0, 21.6, 18.2, 12.4 respectively. Comparison of the Cr-CO bond dissociation energies in the gas phase and in heptane solution suggests a 10 stabilization of Cr(CO)5 by coordinated heptane.

  庚烷中Cr（CO）5 L的Cr-L键强度已使用光声量热法测定。对于L = CO，PBU 3，CH 3 CN和THF，Δ ħ BDE = 27.0，21.6，18.2，12.4分别。气相和庚烷溶液中Cr-CO键解离能的比较表明，配位庚烷可稳定Cr（CO）5的10 。
• The kinetics and mechanism of ligand exchange in photogenerated (η1-bromobenzene)Cr(CO)5/alkene systems
  作者：Santino Ladogana、Suresh K. Nayak、Jaap P. Smit、Gerard R. Dobson

  DOI：10.1016/s0020-1693(97)05550-3

  日期：1998.1

  of the reaction of photogenerated (η1-bromobenzene)Cr(CO)5 (bromobenzene = PhBr), which coordinates weakly (= Lw) to Cr through a ‘dative’ Br → Cr bond, with more strongly bonding alkene ‘traps’ (Ls: 1-hexene: 1-decene: 2,4,4-trimethyl-pentene), has been studied by employing pulsed laser flash photolysis with visible and infrared detection. The kinetics data are (η1-PhBr)Cr(CO)5 → (η2-Ls)Cr(CO)5 consistent

  光生（η1-溴苯）Cr（CO）5（溴苯= PhBr）的反应动力学和机理，该光催化通过（D'→Br）Cr键与Cr弱（= Lw）配位，且与烯烃的结合力更强捕集阱（Ls：1-己烯：1-癸烯：2,4,4-三甲基戊烯）已通过采用可见光和红外检测的脉冲激光闪光光解法进行了研究。动力学数据为（η1-PhBr）Cr（CO）5→（η2-Ls）Cr（CO）5与单一机理一致，涉及从（η1-PhBr）Cr（CO）5解离PhBr，然后进行竞争由此产生的[Cr（CO）5]中间体与PhBr或L5反应。在“惰性”溶剂（S：氟苯，正庚烷）的稀溶液中“纯净”至非常高[Ls]的数据非常吻合，表明溶剂的影响相对不重要。[Cr（CO）6]时的相对进攻速率按1-己烯<1-癸烯<2,2,4-三甲基戊烯的顺序增加。（C6H5X）Cr（CO）5配合物（X = H，F，Cl，Br）的羰基拉伸光谱非常相似，表明这些Lw均为弱σ和π键，但不能区
• Bonding modes of arenes in photogenerated (arene)Cr(CO)5 complexes
  作者：Santino Ladogana、Gerard R. Dobson、Jaap P. Smit

  DOI：10.1016/s0020-1693(97)05929-x

  日期：1998.4

  Detailed kinetics studies of arene displacement by 1-hexene from the ten (arene)Cr(CO)(5) complexes (arene = C6H6-n(CH3)(n); n = 2-5) generated by pulsed laser flash photolysis have been conducted. The data indicate that all reactions obey a 'reversible dissociation-competition for the [Cr(CO)(5)] intermediate' mechanism. The systematic variations in rate constants for unimolecular dissociation of arenes in the presence of l-hexene 'trap' strongly support 'edge-on' bonding of the arene to Cr for the methyl-substituted benzene compounds in which there is a C-C 'ring-edge' unsubstituted by methyls. Where no such ring-edge is present, i.e., for mesitylene, 1,2,3,5-tetramethylbenzene, 1,2,4,5-tetramethylbenzene and pentamethylbenzene, the kinetics data suggest that a rapid equilibrium is established between two binding modes, the second possibly through the ring center. (C) 1998 Elsevier Science S.A.