Journal Article

FZJ-2020-03948

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Cross-polarisation ENDOR for spin-1 deuterium nuclei

Bejenke, I. ; Zeier, R.FZJ* ; Rizzato, R. ; Glaser, S. J. ; Bennati, M. (Corresponding author)

2020
Taylor & Francis London

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Please use a persistent id in citations: http://hdl.handle.net/2128/26222  doi:10.1080/00268976.2020.1763490

Abstract: Efficient transfer of spin polarisation from electron to nuclear spins is emerging as a common target of several advanced spectroscopic experiments, ranging from sensitivity enhancement in nuclear magnetic resonance (NMR) and methods for the detection of single molecules based on optically detected magnetic resonance (ODMR) to hyperfine spectroscopy. Here, we examine the feasibility of electron-nuclear cross-polarisation at a modified Hartmann-Hahn condition (called eNCP) for applications in ENDOR experiments with spin-1 deuterium nuclei, which are important targets in studies of hydrogen bonds in biological systems and materials. We have investigated a two-spin model system of deuterated malonic acid radicals in a single crystal. Energy matching conditions as well as ENDOR signal intensities were determined for a spin Hamiltonian under the effect of microwave and radiofrequency irradiation. The results were compared with numerical simulations and 94-GHz ENDOR experiments. The compelling agreement between theoretical predictions and experimental results demonstrates that spin density operator formalism in conjunction with suitable approximations in regard to spin relaxation provides a satisfactory description of the polarisation transfer effect. The results establish a basis for future numerical optimizations of polarisation transfer experiments using multiple-pulse sequences or shaped pulses and for moving from model systems to real applications in disordered systems.

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Contributing Institute(s):

1. Quantum Control (PGI-8)

Research Program(s):

1. 142 - Controlling Spin-Based Phenomena (POF3-142) (POF3-142)
2. 522 - Controlling Spin-Based Phenomena (POF3-522) (POF3-522)
3. PASQuanS - Programmable Atomic Large-Scale Quantum Simulation (817482) (817482)

Appears in the scientific report 2020

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Database coverage:
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