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

被引：23

作者：

Karabanov, Alexander ^{[1
]}

Kwiatkowski, Grzegorz ^{[1
]}

Perotto, Carlo U. ^{[2
]}

Wisniewski, Daniel ^{[1
]}

McMaster, Jonathan ^{[2
]}

Lesanovsky, Igor ^{[1
,3
]}

Kockenberger, Walter ^{[1
]}

机构：

[1] Univ Nottingham, Sch Phys & Astron, Univ Pk, Nottingham NG7 2RD, England

[2] Univ Nottingham, Sch Chem, Univ Pk, Nottingham NG7 2RD, England

[3] Univ Nottingham, Ctr Math & Theoret Phys Quantum Nonequilibrium Sy, Nottingham NG7 2RD, England

来源：

PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2016年 / 18卷 / 43期

基金：

英国工程与自然科学研究理事会; 欧洲研究理事会;

关键词：

SOLID-STATE; THEORETICAL ASPECTS; SPIN-TEMPERATURE; TRITYL RADICALS; SATURATION; MODEL; DNP;

D O I：

10.1039/c6cp04345c

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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.

引用

页码：30093 / 30104

页数：12

共 36 条

[21] Dynamic Nuclear Polarization by Thermal Mixing Under Partial Saturation
Jannin, Sami
Comment, Arnaud
van der Klink, J. J.
[J]. APPLIED MAGNETIC RESONANCE, 2012, 43 (1-2) : 59 - 68
[22] Jeffries C.D., 1963, DYNAMIC NUCL ORIENTA
[23] Dynamic Nuclear Polarization as Kinetically Constrained Diffusion
Karabanov, A.
Wisniewski, D.
Lesanovsky, I.
Koeckenberger, W.
[J]. PHYSICAL REVIEW LETTERS, 2015, 115 (02)
[24] Quantum Mechanical Simulation of Cross Effect DNP Using Krylov-Bogolyubov Averaging
Karabanov, Alexander
Kwiatkowski, Grzegorz
Koeckenberger, Walter
[J]. APPLIED MAGNETIC RESONANCE, 2012, 43 (1-2) : 43 - 58
[25] Quantum mechanical simulation of solid effect dynamic nuclear polarisation using Krylov-Bogolyubov time averaging and a restricted state-space
Karabanov, Alexander
van der Drift, Anniek
Edwards, Luke J.
Kuprov, Ilya
Koeckenberger, Walter
[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2012, 14 (08) : 2658 - 2668
[26] Kessenikh A., 1963, PHYS SOLID STATE, V8, P835
[27] Luca A. D., 2015, PHYS REV LETT, V115
[28] DNP by Thermal Mixing under Optimized Conditions Yields >60 000-fold Enhancement of 89Y NMR Signal
Lumata, Lloyd
Jindal, Ashish K.
Merritt, Matthew E.
Malloy, Craig R.
Sherry, A. Dean
Kovacs, Zoltan
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2011, 133 (22) : 8673 - 8680
[29] Achievement of high nuclear spin polarization using lanthanides as low-temperature NMR relaxation agents
Peat, David T.
Horsewill, Anthony J.
Koeckenberger, Walter
Linde, Angel J. Perez
Gadian, David G.
Owers-Bradley, John R.
[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2013, 15 (20) : 7586 - 7591
[30] Poole C. P., 1980, Bull. Magn. Reson, V1, P162

← 1 2 3 4 →