High-spin and low-spin iron(II) complexes with facially-coordinated borohydride ligands.
High-spin and low-spin iron(II) complexes with facially-coordinated borohydride ligands.
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具有面配位硼氢化物配体的高自旋和低自旋铁 (II) 配合物。
DOI：
10.1039/b509580h
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发表时间：
2006
期刊：
影响因子：
--
通讯作者：
QueJr,Lawrence
中科院分区：
文献类型：
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作者：
Mehn,MarkP;Brown,StevenD;Paine,TapanK;Brennessel,WilliamW;Cramer,ChristopherJ;Peters,JonasC;QueJr,Lawrence
罕见的单重高自旋和低自旋L3 Fe（H3 BH）配合物的例子已经被表征，其中两个L3配体是[TpPh 2]和[PhBP 3]（[TpPh 2] = [HB（3，5-Ph 2 pz）3]−和[PhBP 3] = [PhB（CH 2 PPh 2）3]−）。报道了其中硼氢化物配体与每个络合物中的铁中心面配位的结构。密度泛函方法已被用来解释这些不寻常的铁（II）中心的键合。尽管在自旋状态的差异，短的Fe-B距离观察到在这两个复合物，并有重要的理论证据支持大量的铁和硼核之间的成键相互作用。根据这种相互作用，我们认为这些配合物可以描述为（L3）Fe（η4-H3 BH）配合物。
Rare examples of monometallic high-spin and low-spin L3Fe(H3BH) complexes have been characterized, where the two L3 ligands are [TpPh2] and [PhBP3] ([TpPh2] = [HB(3,5-Ph2pz)3]− and [PhBP3] = [PhB(CH2PPh2)3]−). The structures are reported wherein the borohydride ligand is facially coordinated to the iron center in each complex. Density functional methods have been employed to explain the bonding in these unusual iron(II) centers. Despite the differences in spin states, short Fe–B distances are observed in both complexes and there is significant theoretical evidence to support a substantial bonding interaction between the iron and boron nuclei. In light of this interaction, we suggest that these complexes can be described as (L3)Fe(η4-H3BH) complexes.