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Published March 25, 2007 | public
Journal Article

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

Abstract

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.

Additional Information

© 2007 American Chemical Society.

Additional details

Created:
August 19, 2023
Modified:
October 26, 2023