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

Mehn, Mark P. and Brown, Steven D. and Paine, Tapan K. and Brennessel, William W. and Cramer, Christopher J. and Peters, Jonas C. and Que, Lawrence, Jr. (2006) High-spin and low-spin iron(II) complexes with facially-coordinated borohydride ligands. Dalton Transactions, 10 . pp. 1347-1351. ISSN 1477-9226. https://resolver.caltech.edu/CaltechAUTHORS:20110711-110613327

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Abstract

Rare examples of monometallic high-spin and low-spin L_3Fe(H_3BH) complexes have been characterized, where the two L_3 ligands are [Tp^(Ph2)] and [PhBP3] ([Tp^(Ph2)] = [HB(3,5-Ph_2pz)_3]− and [PhBP_3] = [PhB(CH_2PPh_2)_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 (L_3)Fe(η^4-H_3BH) complexes.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1039/B509580HDOIUNSPECIFIED
http://pubs.rsc.org/en/Content/ArticleLanding/2006/DT/b509580hPublisherUNSPECIFIED
ORCID:
AuthorORCID
Peters, Jonas C.0000-0002-6610-4414
Additional Information:© 2006 The Royal Society of Chemistry. Received 6th July 2005, Accepted 18th October 2005. First published as an Advance Article on the web 17th November 2005. This work was supported by the National Institutes of Health (GM-33162 to L. Q. and GM-070757 to J. C. P.) and the National Science Foundation (CHE-0203346 to C. J. C.) We thank Larry Henling of the Beckman Institute Crystallographic Facility at Caltech for help with refinement of 2.
Funders:
Funding AgencyGrant Number
NIHGM-33162
NIHGM-070757
NSFCHE-0203346
Record Number:CaltechAUTHORS:20110711-110613327
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20110711-110613327
Official Citation: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 and Lawrence Que, Jr. Dalton Trans., 2006, 1347-1351 DOI: 10.1039/B509580H
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:24357
Collection:CaltechAUTHORS
Deposited By: Ruth Sustaita
Deposited On:11 Jul 2011 18:41
Last Modified:26 Nov 2019 11:15

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