Engineering spin Hamiltonians using multiple pulse sequences in solid state NMR spectroscopy

Cui, Jiangyu1,2,5; Li, Jun3; Liu, Xiaomei1,2,5; Peng, Xinhua1,2,4,5; Fu, Riqiang6

2018-09

10.1016/j.jmr.2018.06.012

JOURNAL OF MAGNETIC RESONANCE   影响因子和分区

1090-7807

1096-0856

Multiple pulse sequences are often used to manipulate spin Hamiltonians in solid-state nuclear magnetic resonance spectroscopy. In this paper, we analyze multiple pulse sequences using the well-known average Hamiltonian theory. We first expand the resulting average Hamiltonian into a reachable set of sub-Hamiltonians and then develop a general procedure using both flip-angle and phase of the applied pulses as control variables to select any of those sub-Hamiltonians. We use this method to analyze solid-echo based sequences and to design new proton-proton homonuclear decoupling sequences in static solids. It is found that this newly designed decoupling scheme, in the presence of finite pulse length, effectively suppresses the H-1-H-1 homonuclear dipolar interactions while establishes variable scaling factors on the heteronuclear dipolar interactions and chemical shift interactions, depending on the flip-angle of the applied pulses. When the pulse flip-angle is close to 54.7 degrees, this sequence possesses a large scaling factor with relatively low average decoupling field. When the pulse flip-angle becomes similar to 120 degrees, the scaling factor is almost zero. A static N-15-acetyl-valine crystal sample has been used as an example to confirm and validate the performance of this new decoupling scheme. (C) 2018 Elsevier Inc. All rights reserved.

Solid-state NMR Average Hamiltonian theory Homonuclear decoupling Multiple pulses Heteronuclear correlation

SCI ; EI

英语

其他

Key Research Program of Frontier Sciences of the CAS[QYZDY-SSWSLH004]

Biochemistry & Molecular Biology ; Physics ; Spectroscopy

Biochemical Research Methods ; Physics, Atomic, Molecular & Chemical ; Spectroscopy

WOS:000442065200009

ACADEMIC PRESS INC ELSEVIER SCIENCE

20182905553787

Amino acids ; Chemical shift ; Intelligent control ; Light polarization ; Nuclear magnetic resonance spectroscopy

Expert Systems:723.4.1 ; Light/Optics:741.1 ; Organic Compounds:804.1 ; Atomic and Molecular Physics:931.3

CHEMISTRY

Web of Science

1.Univ Sci & Technol China, CAS Key Lab Microscale Magnet Resonance, Hefei 230026, Anhui, Peoples R China
2.Univ Sci & Technol China, Dept Modern Phys, Hefei 230026, Anhui, Peoples R China
3.Southern Univ Sci & Technol, Inst Quantum Sci & Engn, Shenzhen 518055, Peoples R China
4.Hunan Normal Univ, Synerget Innovat Ctr Quantum Effects & Applicat, Changsha 410081, Hunan, Peoples R China
5.Univ Sci & Technol China, Synerget Innovat Ctr Quantum Informat & Quantum P, Hefei 230026, Anhui, Peoples R China
6.Natl High Magnet Field Lab, 1800 East Paul Dirac Dr, Tallahassee, FL 32310 USA

Cui, Jiangyu,Li, Jun,Liu, Xiaomei,et al. Engineering spin Hamiltonians using multiple pulse sequences in solid state NMR spectroscopy[J]. JOURNAL OF MAGNETIC RESONANCE,2018,294:83-92.

Cui, Jiangyu,Li, Jun,Liu, Xiaomei,Peng, Xinhua,&Fu, Riqiang.(2018).Engineering spin Hamiltonians using multiple pulse sequences in solid state NMR spectroscopy.JOURNAL OF MAGNETIC RESONANCE,294,83-92.

Cui, Jiangyu,et al."Engineering spin Hamiltonians using multiple pulse sequences in solid state NMR spectroscopy".JOURNAL OF MAGNETIC RESONANCE 294(2018):83-92.