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35 GHz CW and pulsed ENDOR spectroscopy of a novel diiron imide-hydride complex

Kinney, R. Adam and Saouma, Caroline and Peters, Jonas C. and Hoffman, Brian M. (2007) 35 GHz CW and pulsed ENDOR spectroscopy of a novel diiron imide-hydride complex. Abstracts of Papers of the American Chemical Society, 233 . INOR 1020. ISSN 0065-7727.

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A recently synthesized diiron imide-hydride complex L_3Fe^(III)(μ-NH)(μ-H)Fe^(II)L_3 is of interest for its similarity to a nitrogenase intermediate suggested to contain a bridging hydride. Electron nuclear double resonance (ENDOR) studies on this intermediate show unprecedented signals from two chem. equiv. and symmetryrelated protons with large proton hyperfine couplings. To help det. the bonding characteristics of these hydrogenic species, a study of this model complex has been undertaken using 35 GHz CW and Pulsed ENDOR spectroscopy. CW ENDOR spectra show a ^1H signal with extremely large hyperfine couplings, A_(Max) = 60 MHz. The corresponding bridging-deuterated complex was prepd. and the ^2H ENDOR measurements were performed by CW and pulsed ENDOR. DFT calcns. of the hyperfine values (ADF package) indicate that the large coupling proton is due to the bridging hydride. ^1H, ^2H, and ^(14)N CW and Pulsed ENDOR spectra with simulations and ADF calcns. will be presented.

Item Type:Article
Peters, Jonas C.0000-0002-6610-4414
Hoffman, Brian M.0000-0002-3100-0746
Additional Information:© 2007 American Chemical Society.
Record Number:CaltechAUTHORS:20140730-151316761
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:47682
Deposited By: Tony Diaz
Deposited On:31 Jul 2014 16:09
Last Modified:09 Mar 2020 13:18

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