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(η5-cyclopentadienyl)dicarbonylmanganese | 38548-46-8

中文名称
——
中文别名
——
英文名称
(η5-cyclopentadienyl)dicarbonylmanganese
英文别名
(η-cyclopentadienyl)dicarbonylmanganese;dicarbonyl-η-cyclopentadienylmanganese;(η5-cyclopentadienyl)Mn(CO)2;(η(5)-C5H5)Mn(CO)2;η5-C5H5Mn(CO)2;[Mn(η5-cyclopentadienyl)(CO)2]
(η5-cyclopentadienyl)dicarbonylmanganese化学式
CAS
38548-46-8
化学式
C7H5MnO2
mdl
——
分子量
176.053
InChiKey
DSVIZCJABXELMM-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    None
  • 重原子数:
    None
  • 可旋转键数:
    None
  • 环数:
    None
  • sp3杂化的碳原子比例:
    None
  • 拓扑面积:
    None
  • 氢给体数:
    None
  • 氢受体数:
    None

反应信息

  • 作为反应物:
    描述:
    (η5-cyclopentadienyl)dicarbonylmanganese一氧化碳 作用下, 以 gaseous matrix 为溶剂, 生成 三羰基(η-环戊二烯基)合锰
    参考文献:
    名称:
    气相配位不饱和光片段(η5-C5H5)Mn(CO)x(x = 2和1)的时间分辨红外研究
    摘要:
    Time-resolved infrared spectroscopy is used to study the coordinatively unsaturated species eta-5-C5H5)Mn(CO)x (x = 2 and 1) generated by 266- and 355-nm laser photolysis of (eta-5-C5H5)Mn(CO)3 in the gas phase. (eta-5-C5H5)Mn(CO) is the predominant photoproduct upon 266-nm photolysis while both (eta-5-C5H5)Mn(CO) and (eta-5-C3H5)Mn(CO)2 am produced upon 355-nm photolysis. IR spectra in the region of 1820-2033 cm-1 are assigned for the coordinatively unsaturated species (eta-5-C5H5)Mn(CO)x and found to be in major disagreement with those obtained in condensed phases. The rate constants for the reactions of (eta-5-C5H5)Mn(CO)2 and (eta-5-C5H5)Mn(CO) with CO are determined to be (5.9 +/- 0.4) x 10(11) and (6.7 +/- 0.2) x 10(12) cm3 mol-1 s-1, respectively. The rate constant for the reaction of (eta-5-C5H5)Mn(CO) with CO is on the order of 1/10 gas kinetic while the corresponding value for (eta-5-C5H5)Mn(CO)2 is over an order of magnitude smaller. The magnitudes of the rate constants for the reactions of (eta-5-C5H5)Mn(CO)x with CO are compared with those of (eta-6-C6H6)Cr(CO)x previously observed and are discussed in terms of the change of spin states of these reactions. In addition, it is found that the presence of care gas Q (Q = Ar, He, and Xe) has remarkable influence on the kinetic behavior of (eta-5-C5H5)Mn(CO)2, implying the formation of rare-gas complexes (eta-5-C5H5)Mn(CO)2.Q in the gas phase.
    DOI:
    10.1021/j100198a031
  • 作为产物:
    描述:
    参考文献:
    名称:
    CpMn(CO)3和相关衍生物的光化学:单重态和三重态CpMn(CO)2的光谱观察
    摘要:
    我们报告从(η衍生的新的光化5 -C 5 H ^ 5)的Mn(CO)3(1A),(η 5 -C 5 H ^ 4 Me)中的Mn(CO)3(图1b),(η 5 -C 5我5)的Mn(CO)3(1C),和(η 5 -茚基)的Mn(CO)3(1D)。母体三羰基(1a – d)的光解(> 261 nm,1 h),在氩气中于10 K分离,产生两种物质:预期的单线态二羰基1(η5 -L)的Mn(CO)2(1 2A - d)和分配作为三重态二羰基的附加化合物3(η 5 -L)的Mn(CO)2(3 2A - d)。密度泛函理论计算(B3LYP / LANL2DZ)支持1 2和3 2的结构分配。的自然键轨道种群分析1个图2a和3图2A解释了大的耦合的源极(Δν CO 153厘米-1的羰基的伸缩振动之间)32a。即使在低至10 K的温度下,三重态异构体(3 2)也是亚稳态的。我们使用色散动力学分析确定了热异构化3
    DOI:
    10.1021/om200555e
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文献信息

  • Photochemistry of (η-benzene)tricarbonylchromium, tricarbonyl-(η-cyclopentadienyl)manganese, and (η-cyclobutadiene)- and (tris-methylenemethane)-tricarbonyliron in frozen gas matrices at 12 K. Infrared spectroscopic evidence for dicarbonylmetal and dicarbonyl-(dinitrogen)metai complexes
    作者:Antony J. Rest、John R. Sodeau、David J. Taylor
    DOI:10.1039/dt9780000651
    日期:——
    Infrared evidence is presented for the formation of co-ordinatively unsaturated species [ML(CO)2][ML = Cr-(η-C6H6), Mn(η-C5H5), or Fe(η-C4H4), or FeC(CH2)H3}] on the u.v. photolysis of [ML(CO)3] complexes in argon and methane matrices, and dinitrogen complexes [ML(CO)2(N2)] in nitrogen matrices at 12 K. The primary photolysis step is readily reversed by visible light for [ML(CO)2] species of Cr and
    红外证据提出了一种用于共ordinatively不饱和物种[ML(CO)的形成2 ] [ML = CR-(η-C 6 H ^ 6),(η-C 5 H ^ 5),或Fe(η-C 4 H 4)或Fe C(CH 2)H 3 }]在气和甲烷基质中的[ML(CO)3 ]配合物和二氮配合物[ML(CO)2(N 2)]在12 K的氮气中。可见光对Cr和Fe的[ML(CO)2]物种很容易使初级光解步骤逆转,而对于Mn则不容易。关于在溶液相取代反应中作为中间体的配位不饱和物质的假设进行了讨论。
  • Photolysis of Group VI metal carbonyls, (η6-C6H6)Cr(CO)3, (η5-C5H5)Mn(CO)3, (η5-CH3C5H4)Mn(CO)3 and (η5-C5H5)Re(CO)3 in Nujol at 77 K
    作者:Thomas E. Bitterwolf、Kimberly A. Lott、Antony J. Rest、Joëlle Mascetti
    DOI:10.1016/0022-328x(91)86168-p
    日期:1991.11
    Photolysis of M(CO)6, where M = Cr,Mo, and W, in Nujol mulls at 77K resulted in the formation of “free” CO and C4v M(CO)5 photoproducts. This reaction was found to be photochemically and thermally reversible. Similarly, the photolysis of the metal “half-sandwich” complexes (η6-C6H6)Cr(CO)3, (η5-C5H5)Mn(CO)3, (η5-CH3C5H4)Mn(CO)3 and (η5-C5H5)Re(CO)3 in Nujol at 77 K was found to form the corresponding
    M(CO)6在Nukol藻中在77K时发生光解,其中M = Cr,Mo和W,导致“游离” CO和C 4 v M(CO)5光产物的形成。发现该反应是光化学和热可逆的。类似地,属的光解的“半三明治”复合物(η 6 -C 6 H ^ 6)的Cr(CO)3,(η 5 -C 5 H ^ 5)的Mn(CO)3,(η 5 -CH 3 Ç 5 ħ 4)的Mn(CO)3和(η 5 -C 5 H ^ 5发现Nujol中77 K处的Re(CO)3形成相应的二羰基光产物和“游离” CO。发现这些反应是光化学可逆的。(η 6 -C 6 H ^ 6)的Cr(CO)3和(η 5 -C 5)的Re(CO)3,还发现直接在光解,以产生少量的双核的产品,而(η 5 -C 5 H ^ 5)的Mn(CO)3和(η 5 -CH 3 ç 5 ħ 4)的Mn(CO)3形成在退火类似物质。
  • Herrmann, Wolfgang A.; Weichmann, Josef; Kuesthardt, Ulrich, Angewandte Chemie, 1983, vol. 95, p. 1019 - 1020
    作者:Herrmann, Wolfgang A.、Weichmann, Josef、Kuesthardt, Ulrich、Schaefer, Adolf、Hoerlein, Rolf、et al.
    DOI:——
    日期:——
  • Hill, Ross H.; Wrighton, Mark S., Organometallics, 1987, vol. 6, # 3, p. 632 - 638
    作者:Hill, Ross H.、Wrighton, Mark S.
    DOI:——
    日期:——
  • Heberhold, Max; Reiner, Dietmar; Neugebauer, Dietmar, Angewandte Chemie, 1983, vol. 95, p. 46 - 47
    作者:Heberhold, Max、Reiner, Dietmar、Neugebauer, Dietmar
    DOI:——
    日期:——
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