GaCp* | 143332-35-8

• 分子结构分类: 有机化合物 - 有机金属化合物 - 烯丙基金属
• 英文名称: GaCp*
• 英文别名: η5-C5H5Ga；[Ga(η5-Cp)]；(η5-cyclopentadienyl)gallium(I)；(cyclopentadienyl)Ga；η5-Ga-cyclopentadienyl；η5-Ga-Cp
• CAS: 143332-35-8
• 化学式: C₅H₅Ga
• 分子量: 134.818
• InChiKey: MJDBRQDXZKYIKY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.07
• 重原子数：
  6
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 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：

  五羰基(顺式环辛烯)铬 、 GaCp* 以 正己烷 为溶剂， 反应 0.33h， 以2.08 g的产率得到
  参考文献：
  名称：

  GaCp 作为配体在配位化学中的应用：与 GaCp* 的异同

  摘要：

  固体“GaI”与 NaCp 反应生成 (η5-环戊二烯基) 镓 (GaCp)。GaCp 溶液与 [Cr(CO)5(coe)] (coe = 环辛烯) 或 Co2(CO)8 的进一步反应导致 CpGa–Cr(CO)5 (1) 或 (thf)GaCp{Co(CO) )4}2 (4) 分别表明 GaCp 可用作配位化学中的末端配体，但与其体积较大的类似物 GaCp* (Cp* = C5Me5) 不同，它还充当还原剂。

  DOI：

  10.1002/ejic.201300401
• 作为产物：
  描述：

  gallium(III) chloride 、 环戊二烯锂 以 乙醚 、 甲苯 为溶剂， 生成 GaCp*
  参考文献：
  名称：

  Aluminum(I) and Gallium(I) Compounds: Syntheses, Structures, and Reactions

  摘要：

  AbstractBy the end of the last century there were already the first indications of the possible existence of Al1 halides. However, it was only through the pioneering works of W. Klemm, who would have celebrated his 100th birthday on January 6, 1996, that detailed spectroscopic investigations became possible. Since the end of the 1970s the reactivity of AlX and GaX species in solid noble gases has been confirmed by numerous examples. In recent years formally monovalent Al and Ga species have been successfully synthesized on a preparative scale. In addition to the first halides, organometallic compounds with metal–metal bonds have been isolated and investigated with regard to their chemical properties. The fundamental importance of such species has been documented in this journal among others in the form of two highlight articles in which experimental and theoretical aspects have been examined with examples, and parallels and differences with respect to boron chemistry have been illustrated. This review is intended to give an account of the chronological development of this research area over the last few years, but an attempt is also made to categorize the experimental results achieved not only with respect to structure, thermodynamics, and reactivity, but also with the aid of quantum chemical calculations and by comparative considerations.

  DOI：

  10.1002/anie.199601291

文献信息

• Chemistry of Hume-Rothery inspired organometallics: Selective functionalization of [M(ZnCp*) 4 (ZnCH 3 ) 4 ] (M = Ni, Pd, Pt) with terminal alkynes to yield [M(ZnCp*) 4 (ZnCCSi i Pr) 4 ]
  作者：Julius Hornung、Jana Weßing、Mariusz Molon、Katharina Dilchert、Christian Gemel、Roland A. Fischer

  DOI：10.1016/j.jorganchem.2018.02.017

  日期：2018.4

  group-8 metal complexes [M(ZnCp*)4(ZnCCSi(iPr)3)4] (M = Ni (1), Pd (2), Pt (3)) were obtained by selective functionalization of the protecting organic ligand shell starting out from the organometallic MZn8-complexes [M(ZnCp*)4(ZnMe)4]. The reaction with excess HCCSi(iPr)3 leads to a stepwise exchange of the methyl to alkynyl groups under liberation of methane over very long reaction times at elevated temperatures

  通过选择性功能化获得全锌配位的第8组金属配合物[M（ZnCp *）4（ZnCCSi（i Pr）3）4 ]（M = Ni（1），Pd（2），Pt（3））。有机金属MZn 8-络合物[M（ZnCp *）4（ZnMe）4 ]开始的保护性有机配体壳的制备。与过量的HC CSi（i Pr）3的反应导致在甲烷的释放下，在升高的温度下，在很长的反应时间内，甲基逐步转化为炔基。所有复合物1 - 3以纯的形式分离得到高收率的化合物，并通过1 H，13 C NMR以及液体注入场解吸（LIFDI）质谱进行了充分表征。此外，进行了1和3的单晶结构分析，显示了起始配合物的双金属十二面体[MZn 8 ]核在产物配合物中保持完整。
• A Convenient Synthesis of Cyclopentadienylgallium – The Awakening of a Sleeping Beauty in Organometallic Chemistry
  作者：Christian Schenk、Ralf Köppe、Hansgeorg Schnöckel、Andreas Schnepf

  DOI：10.1002/ejic.201100672

  日期：2011.9

  yield (η5-cyclopentadienyl)gallium (GaCp) (1). During the synthesis the side product, CpGaGaCp2I (2), with a rare gallium–gallium donor–acceptor bond could be isolated. The reaction of 1 with B(C6F5)3 affords CpGaB(C6F5)3 (4). The molecular structures of 2 and 4, which contain the first GaCp moieties, are presented. The convenient synthesis of 1 needs only standard laboratory equipment and certainly

  固体“GaI”与 NaCp 反应生成 (η5-环戊二烯基) 镓 (GaCp) (1)。在合成过程中，可以分离出具有罕见的镓-镓供体-受体键的副产物 CpGaGaCp2I (2)。1 与 B(C6F5)3 反应得到 CpGaB( )3 (4)。显示了包含第一个 GaCp 部分的 2 和 4 的分子结构。1 的方便合成只需要标准的实验室设备，无疑为 1 成为有机金属化学中的多功能试剂打开了大门；在最初发现近 20 年后唤醒了睡美人 GaCp。
• Synthesis and Structures of Polyhedral Hexa‐ and Octagallium Cluster Compounds
  作者：Michael Gast、Barbara Ejlli、Hubert Wadepohl、Gerald Linti

  DOI：10.1002/ejic.201900474

  日期：2019.7.7

  closo‐Ga6 and Ga8 cluster ions [Ga6(R5)6]2– and [Ga8I4(R5)4]2– have been prepared as their lithium salts from reaction of the corresponding lithium silanide with a gallium subtriflate and “GaI”, respectively, together with the expected disproportionation products. All new compounds have been structurally characterized by single crystal X ray crystallography. The hexagallium cluster has a regular octahedral

  新颖的多面体闭合碳-Ga 6根Ga 8簇离子[嘎6（R 5）6 ] 2-和[嘎8我4（R 5）4 ] 2-分别由相应的硅烷化锂与亚三氟甲磺酸镓和“ GaI”与预期的歧化产物反应制备了它们的锂盐。所有新化合物均已通过单晶X射线晶体学进行了结构表征。六镓簇具有规则的八面体核心，预计对于七个SEP簇而言。通过DFT计算，将八角形9-SEP簇的意外的蝶形结构与方形反棱形异构体进行了比较。此外，通过对Dgallanes（4）R 4 Ga 2进行色散校正的DFT计算，使这种镓-镓键合化合物的键合有了新的外观。
• Loos, Dagmar; Schnoeckel, Hansgeorg; Gauss, Juergen, Angewandte Chemie, 1992, vol. 104, p. 1376 - 1378
  作者：Loos, Dagmar、Schnoeckel, Hansgeorg、Gauss, Juergen、Schneider, Uwe

  DOI：——

  日期：——