carbon monoxide,manganese,trifluoromethane | 13601-14-4

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: carbon monoxide,manganese,trifluoromethane
• 英文别名: trifluoromethylpentacarbonylmanganese(I)
• CAS: 13601-14-4
• 化学式: C₆F₃MnO₅
• 分子量: 263.996
• InChiKey: VTOOHBPEDXHXNB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.93
• 重原子数：
  15.0
• 可旋转键数：
  5.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  85.35
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  carbon monoxide,manganese,trifluoromethane 在 tetrafluoroboric acid 、 水 作用下， 以 硝基甲烷 为溶剂， 生成 hexamanganese(I)
  参考文献：
  名称：

  Richmond, Thomas G.; Crespi, Ann M.; Shriver, Duward F., Organometallics, 1984, vol. 3, # 2, p. 314 - 319

  摘要：

  DOI：
• 作为产物：
  描述：

  (trifluoroacetyl)manganese pentacarbonyl 生成 carbon monoxide,manganese,trifluoromethane
  参考文献：
  名称：

  通过红外多光子解离、碰撞诱导解离和特定配体置换反应鉴定 Mn(CO)nCF3- (n = 4, 5) 结构异构体：研究气相中的三氟甲基迁移脱羰反应

  摘要：

  用傅立叶变换离子回旋共振光谱在气相中研究了三氟甲基迁移脱羰反应，该反应将（三氟乙酰基）锰四羰基阴离子转化为（三氟甲基1）锰四羰基阴离子。(trifluoroacety1) 锰五羰基的解离电子附着产生 Mn-(CO)_5CF_3^- 和 Mn(CO)_4CF_3^-。Mn(CO)_5CF_3^- 缓慢分解生成 Mn(CO)_4CF_3^-，同时失去 CO。为了鉴定这两种离子的结构，我们采用了红外多光子解离结合碰撞诱导解离和涉及配体置换过程的特定反应性。Mn(CO)_4CF_3^- 衍生自不同前体（三氟甲基）五羰基锰的解离电子附着，也用于确认三氟甲基迁移产物离子的身份。(三氟乙酰基)锰五羰基生成的Mn(CO)_5CF_3^-离子在CO_2激光波长范围内不发生红外多光子解离，表明三氟乙酰基结构CF_3COMn(CO)_4^-。来自两种不同前驱体的 Mn(CO)_4CF_3^- 离子在实验误差范围

  DOI：

  10.1021/ja00162a003

文献信息

• Mononuclear anionic formyl complexes; synthesis and properties
  作者：J.C. Selover、Marianne Marsi、David W. Parker、J.A. Gladysz

  DOI：10.1016/s0022-328x(00)83029-6

  日期：1981.3

  A series of kinetically unstable mononuclear anionic formyl complexes have been prepared by the action of Li(C2H5)3BH on neutral metal carbonyl precursors. One of these, Li+[(CO)4Mn(COC6H5)(CHO)]−, is shown to decompose by a hydride transfer disproportionation mechanism involving the by-product (C2H5)3B.

  通过Li（C 2 H 5）3 BH对中性金属羰基前体的作用，制备了一系列动力学不稳定的单核阴离子甲酰基配合物。其中之一Li + [（CO）4 Mn（COC 6 H 5）（CHO）] -表现为通过涉及副产物（C 2 H 5）3 B的氢化物转移歧化机理分解。
• Fluoroalkyl Radical Generation by Homolytic Bond Dissociation in Pentacarbonylmanganese Derivatives
  作者：Roberto Morales‐Cerrada、Christophe Fliedel、Jean‐Claude Daran、Florence Gayet、Vincent Ladmiral、Bruno Améduri、Rinaldo Poli

  DOI：10.1002/chem.201804007

  日期：2019.1.2

  Thermal decarbonylation of the acyl compounds [Mn(CO)5(CORF)] (RF=CF3, CHF2, CH2CF3, CF2CH3) yielded the corresponding alkyl derivatives [Mn(CO)5(RF)], some of which have not been previously reported. The compounds were fully characterized by analytical and spectroscopic methods and by several single‐crystal X‐ray diffraction studies. The solution‐phase IR characterization in the CO stretching region

  酰基化合物[Mn（CO）5（COR F）]的热脱羰作用（R F = CF 3，CHF 2，CH 2 CF 3，CF 2 CH 3）得到相应的烷基衍生物[Mn（CO）5（R F）]，其中一些以前未曾报告过。通过分析和光谱方法以及多项单晶X射线衍射研究对化合物进行了全面表征。在CO拉伸区域中的固溶相IR表征，借助DFT计算，已经为[Mn（12 CO）的振动分配了几个弱带。4（当量- 13 CO）（R ˚F）]和[锰（12 CO）4（斧- 13 CO）（R ˚F）同位素和排名的R ˚F顺序CF施主功率3
• Time-Resolved Infrared Spectral Studies of Intermediates Formed in the Laser Flash Photolysis of Mn(CO)5CH3
  作者：William T. Boese、Peter C. Ford

  DOI：10.1021/om00021a028

  日期：1994.9

  Laser flash photolysis (308 nm) of Mn(CO)(5)CH3 (I) in different solvents leads predominantly to CO photodissociation and the formation of reactive intermediates formulated as the solvento complexes cis-Mn(CO)(4)(solv)CH3. This conclusion is based upon the solvent sensitivity of the time-resolved infrared spectra and the dynamics of reactions with various ligands. For example, the reaction of cis-Mn(CO)(4)(solv)CH3 with CO displays second-order kinetics with a rate constant k(co) nearly 8 orders of magnitude larger for solv = perfluoro-(methylcyclohexane) than for solv = tetrahydrofuran. The k(L) values for the second-order reaction of cis-Mn(CO)(4)(solv)CH3 in cyclohexane with various ligands L follow the approximate order 4-phenylpyridine approximate to H2O approximate to THF > P(OMe)(3) approximate to PPh(3) > CO approximate to N-2. The quantitative behaviors of intermediates seen in the flash photolysis of I are compared with those seen in similar studies of the acetyl complex Mn(CO)(5)(COCH3) (II) (Organometallics, 1993, 12, 4739-4741), and this comparison is used to substantiate the earlier conclusion that CO dissociation from II in weakly coordinating solvents leads to an eta(2)-acyl-coordinated intermediate rather than to a solvento complex.
• Richmond, Thomas G.; Shriver, Duward F., Organometallics, 1984, vol. 3, # 2, p. 305 - 314
  作者：Richmond, Thomas G.、Shriver, Duward F.

  DOI：——

  日期：——
• Naumann, Dieter; Kaiser, Martina, Zeitschrift fur Anorganische und Allgemeine Chemie
  作者：Naumann, Dieter、Kaiser, Martina

  DOI：——

  日期：——