Simulating suppression effects in pulsed ENDOR, and the 'hole in the middle' of Mims and Davies ENDOR spectra

Peter E Doan, Nicholas S. Lees, Muralidharan Shanmugam, Brian M Hoffman

Research output: Contribution to journalArticle

19 Scopus citations

Abstract

All pulsed electron-nuclear double resonance (ENDOR) techniques, and in particular the Mims and Davies sequences, suffer from detectability biases ('blindspots') that are directly correlated to the size of the hyperfine interactions of coupled nuclei. Our efforts at ENDOR 'crystallography' and 'mechanism determination' with these techniques have led our group to refine our simulations of pulsed ENDOR spectra to take into account these biases, and we here describe the process and illustrate it with several examples. We first focus on an issue whose major significance is not widely appreciated, the 'hole in the middle' of pulsed ENDOR spectra caused by the n = 0 suppression hole in Mims ENDOR and by the analogous A → 0 suppression in Davies ENDOR for I = 1/2 and for 2H (I = 1). We then discuss the general treatment of suppression effects for I = 1, illustrating it with a treatment of Mims suppression for 14N.

Original languageEnglish (US)
Pages (from-to)763-779
Number of pages17
JournalApplied Magnetic Resonance
Volume37
Issue number1
DOIs
StatePublished - Jan 1 2010

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

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