| 891863-91-5

• CAS: 891863-91-5
• 化学式: C₉Bi₂Fe₃O₉
• 分子量: 837.595
• InChiKey: KVOXRGNBQCZPRM-UHFFFAOYSA-N

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：

  、 四乙基溴化铵 在 KC₈ 作用下， 以 乙腈 为溶剂， 以35%的产率得到
  参考文献：
  名称：

  Effect of Hybridization on Structure and Bonding of Cluster Compounds Possessing a Square-Pyramidal Fe₃(CO)₉E₂ Core (E = Element of Group 15 or 16)

  摘要：

  The pyrolysis of [NEt(4)](2)[Bi4Fe4(CO)(13)] in MeCN cleanly produces the square-pyramidal cluster [NEt(4)](2)[Fe-3(CO)(9)-Bi-2] An X-ray crystallographic study was carried out on this compound at 223 K (orthorhombic space group P2(1)2(1)2(1) (NO. 19) With a=7.280(1) Angstrom, b=20.642(4) Angstrom, c=22.365(4) Angstrom, V=3360.9(10) Angstrom(3), and Z=4) showing it to belong to the square-pyramidal class of 50 electron E(2)M(3) clusters. When the E atom bears a substituent, the E ... E distances are shorter, and the M(basal)-E-M(basal) angles are larger than when a lone pair of electrons resides on E. It has become fashionable to attribute such changes in bond parameters to the formation of E-E bonding, but rehybridization of the main group element could also explain this phenomenon. In order to shed light on this fundamental aspect of bonding in E-M clusters, a detailed extended Huckel molecular orbital analysis was undertaken. It appears that weak E-E bonding may be present in some cases but that this is not the dominant effect.

  DOI：

  10.1021/ic960243l
• 作为产物：
  描述：

  (铋)2(铁)2(羰基)8(甲基)2 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Whitmire, Kenton H.; Shieh, Minghuey; Cassidy, Juanita, Inorganic Chemistry, 1989, vol. 28, # 16, p. 3164 - 3170

  摘要：

  DOI：

文献信息

• Synthesis and x-ray crystallographic characterization of (μ3-Bi)2Fe3(CO)9: A reformulation of Hieber's Bi2Fe5(CO)20
  作者：Melvyn Rowen Churchill、James C. Fettinger、Kenton H. Whitmire

  DOI：10.1016/0022-328x(85)80008-5

  日期：1985.3

  When [HFe(CO)4]− is treated first with NaBiO3 and then dilute H2SO4, a complex mixture of neutral metal carbonyl clusters results, some of which can be extracted into petroleum ether. Upon prolonged standing the extract yields a precipitate which has been characterized by X-ray crystallography as Bi2Fe3(CO)9.

  当先用NaBiO 3处理[HFe（CO）4 ] -，然后用H 2 SO 4稀释时，会形成中性羰基金属簇的复杂混合物，其中一些可以提取到石油醚中。长时间放置后，提取物产生沉淀物，该沉淀物通过X射线晶体学表征为Bi 2 Fe 3（CO）9。
• Whitmire, Kenton H.; Shieh, Minghuey; Lagrone, Craig B., Inorganic Chemistry, 1987, vol. 26, # 17, p. 2798 - 2807
  作者：Whitmire, Kenton H.、Shieh, Minghuey、Lagrone, Craig B.、Robinson, Brian H.、Churchill, Melvyn Rowen、Fettinger, James C.、See, Ronald F.

  DOI：——

  日期：——
• Novel carbonyl iron–bismuth clusters – synthesis, structure, CO2 insertion and potential as molecular precursors for BiFeO3
  作者：Katarzyna Wójcik、Tobias Rüffer、Heinrich Lang、Alexander A. Auer、Michael Mehring

  DOI：10.1016/j.jorganchem.2011.01.028

  日期：2011.4

  The reaction of Fe-2(CO)(9) with Bi((OSiMe2Bu)-Bu-t)(3) gave soluble [(CO)(4)FeBi((OSiMe2Bu)-Bu-t)](2) (1) in moderate yield whereas in case of Bi(OtBu)(3) used as starting material both [(CO)(4)FeBi(OtBu)](n) (2) and the bismutheiron cluster [(CO)(3)FeBi3(OtBu)(4)OCO(OtBu)}](2) (3) were isolated. The latter forms upon insertion of CO2, released during reaction of diiron nonacarbonyl with bismuth tert-butoxide, into a Bi-(OBu)-Bu-t bond. The compounds were characterized by IR and H-1 NMR spectroscopy as well as thermogravimetric analyses. Additionally, the molecular structures of compounds 1 and 3 were elucidated by single crystal X-ray diffraction. The core structure of [(CO)(4)FeBi((OSiMe2Bu)-Bu-t)](2) (1) is build up by a four-membered Bi2Fe2 ring whereas [(CO)(3)FeBi3((OBu)-Bu-t)(4)OCO(OtBu)}](2) (3) is composed of two tetrahedral FeBi3 cluster cores that dimerise via bridging -OCO(OtBu) ligands. Analysis of the TGA residues by PXRD revealed that compound 2 is the best precursor for multiferroic BiFeO3 among the compounds studied here, although Bi25FeO39 was detected as minor impurity. (C) 2011 Published by Elsevier B. V. t