Dynamic nuclear polarisation by thermal mixing: quantum theory and macroscopic simulations

Karabanov, Alexander; Kwiatkowski, Grzegorz; Perotto, Carlo U.; Wi?niewski, Daniel; McMaster, Jonathan; Lesanovsky, Igor; K�ckenberger, Walter

Abstract

A theory of dynamic nuclear polarisation (DNP) by thermal mixing is suggested based on purely quantum considerations. A minimal 6-level microscopic model is developed to test the theory and link it to the well known thermodynamic model. Optimal conditions for the nuclear polarization enhancement and effects of inhomogeneous broadening of the electron resonance are discussed. Macroscopic simulations of nuclear polarization spectra displaying good agreement with experiments, involving BDPA and trityl free radicals, are presented.

Citation

Karabanov, A., Kwiatkowski, G., Perotto, C. U., Wiśniewski, D., McMaster, J., Lesanovsky, I., & Köckenberger, W. (2016). Dynamic nuclear polarisation by thermal mixing: quantum theory and macroscopic simulations. Physical Chemistry Chemical Physics, 18(43), 30093-30104. https://doi.org/10.1039/c6cp04345c

• Journal Article Type: Article
• Acceptance Date: Oct 13, 2016
• Online Publication Date: Oct 14, 2016
• Publication Date: Nov 21, 2016
• Deposit Date: Oct 26, 2016
• Publicly Available Date: Oct 26, 2016
• Journal: Physical Chemistry Chemical Physics
• Print ISSN: 1463-9076
• Electronic ISSN: 1463-9084
• Publisher: Royal Society of Chemistry
• Peer Reviewed: Peer Reviewed
• Volume: 18
• Issue: 43
• Pages: 30093-30104
• DOI: https://doi.org/10.1039/c6cp04345c
• Public URL: https://nottingham-repository.worktribe.com/output/827662
• Publisher URL: http://pubs.rsc.org/en/Content/ArticleLanding/2016/CP/C6CP04345C#!divAbstract
• Additional Information: : This document is Similarity Check deposited; : The PCCP Owner Societies have an exclusive publication licence for this journal; : Single-blind; : Received 21 June 2016; Accepted 13 October 2016; Accepted Manuscript published 14 October 2016; Advance Article published 24 October 2016; Version of Record published 2 November 2016
• Contract Date: Oct 26, 2016