High-spin and low-spin iron(II) complexes with facially-coordinated borohydride ligands

Mark P. Mehn; Steven D. Brown; Tapan K. Paine; William W. Brennessel; Christopher J. Cramer; Jonas C. Peters; Lawrence Que

doi:10.1039/b509580h

High-spin and low-spin iron(II) complexes with facially-coordinated borohydride ligands

Mark P. Mehn, Steven D. Brown, Tapan K. Paine, William W. Brennessel, Christopher J. Cramer, Jonas C. Peters, Lawrence Que

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Abstract

Rare examples of monometallic high-spin and low-spin L₃Fe(H ₃BH) complexes have been characterized, where the two L₃ ligands are [Tp^Ph2] and [PhBP₃] ([Tp^Ph2] = [HB(3,5-Ph₂pz)₃]- and [PhBP₃] = [PhB(CH ₂PPh₂)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 -H ₃BH) complexes.

Original language	English (US)
Pages (from-to)	1347-1351
Number of pages	5
Journal	Dalton Transactions
Volume	6
Issue number	10
DOIs	https://doi.org/10.1039/b509580h
State	Published - Mar 14 2006

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title = "High-spin and low-spin iron(II) complexes with facially-coordinated borohydride ligands",

abstract = "Rare examples of monometallic high-spin and low-spin L3Fe(H 3BH) complexes have been characterized, where the two L3 ligands are [TpPh2] and [PhBP3] ([TpPh2] = [HB(3,5-Ph2pz)3]- and [PhBP3] = [PhB(CH 2PPh2)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 -H 3BH) complexes.",

author = "Mehn, {Mark P.} and Brown, {Steven D.} and Paine, {Tapan K.} and Brennessel, {William W.} and Cramer, {Christopher J.} and Peters, {Jonas C.} and Lawrence Que",

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doi = "10.1039/b509580h",

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T1 - High-spin and low-spin iron(II) complexes with facially-coordinated borohydride ligands

AU - Mehn, Mark P.

AU - Brown, Steven D.

AU - Paine, Tapan K.

AU - Brennessel, William W.

AU - Cramer, Christopher J.

AU - Peters, Jonas C.

AU - Que, Lawrence

PY - 2006/3/14

Y1 - 2006/3/14

N2 - Rare examples of monometallic high-spin and low-spin L3Fe(H 3BH) complexes have been characterized, where the two L3 ligands are [TpPh2] and [PhBP3] ([TpPh2] = [HB(3,5-Ph2pz)3]- and [PhBP3] = [PhB(CH 2PPh2)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 -H 3BH) complexes.

AB - Rare examples of monometallic high-spin and low-spin L3Fe(H 3BH) complexes have been characterized, where the two L3 ligands are [TpPh2] and [PhBP3] ([TpPh2] = [HB(3,5-Ph2pz)3]- and [PhBP3] = [PhB(CH 2PPh2)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 -H 3BH) complexes.

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EP - 1351

JO - Dalton Transactions

JF - Dalton Transactions

IS - 10

ER -

High-spin and low-spin iron(II) complexes with facially-coordinated borohydride ligands

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