Published October 19, 2011
| Accepted Version + Supplemental Material
Journal Article
Open
A Nonclassical Dihydrogen Adduct of S = ½ Fe(I)
Abstract
We have exploited the capacity of the "(SiP^(iPr)_3)Fe(I)" scaffold to accommodate additional axial ligands and characterized the mononuclear S = 1/2 H_2 adduct complex (SiP^(iPr)_3)Fe^I(H_2). EPR and ENDOR data, in the context of X-ray structural results, revealed that this complex provides a highly unusual example of an open-shell metal complex that binds dihydrogen as a ligand. The H2 ligand at 2 K dynamically reorients within the ligand-binding pocket, tunneling among the energy minima created by strong interactions with the three Fe–P bonds.
Additional Information
© 2011 American Chemical Society. Received: July 26, 2011. Publication Date (Web): September 28, 2011. We acknowledge the NIH (GM-070757 to J.C.P.; HL 13531 to B.M.H.). We thank Prof. Harden McConnell for insightful suggestions about low-temperature dynamics. Dr. Peter Müller provided assistance with XRD analyses. Professor George R. Rossman provided access to a near-IR spectrometer.Henry Fong probed the deprotonation of 5.Attached Files
Accepted Version - nihms328291.pdf
Supplemental Material - ja207003m_si_001.pdf
Supplemental Material - ja207003m_si_002.cif
Files
nihms328291.pdf
Additional details
- Alternative title
- Characterization of a Non-classical Dihydrogen Adduct of an S = ½ Fe(I) Center
- PMCID
- PMC3197269
- Eprint ID
- 27794
- Resolver ID
- CaltechAUTHORS:20111116-075831871
- GM-070757
- NIH
- HL 13531
- NIH
- Created
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2011-11-16Created from EPrint's datestamp field
- Updated
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2021-11-09Created from EPrint's last_modified field