17O NMR relaxation measurements for investigation of molecular dynamics in static solids using sodium nitrate as a model compound

被引:2
作者
Vugmeyster, Liliya [1 ]
Fu, Riqiang [2 ]
Ostrovsky, Dmitry [3 ]
机构
[1] Univ Colorado Denver, Dept Chem, Denver, CO 80204 USA
[2] Natl High Magnet Field Lab, Tallahassee, FL 32310 USA
[3] Univ Colorado Denver, Dept Math, Denver, CO 80204 USA
基金
美国国家卫生研究院;
关键词
NUCLEAR-MAGNETIC-RESONANCE; QUADRUPOLAR NUCLEI; SPIN-LOCKING; LINE-SHAPES; SPECTROSCOPY; TRANSITION;
D O I
10.1016/j.ssnmr.2024.101976
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
17O NMR methods are emerging as a powerful tool for determination of structure and dynamics in materials and biological solids. We present experimental and theoretical frameworks for measurements of 17O NMR relaxation times in static solids focusing on the excitation of the central transition of the 17O spin 5/2 system. We employ 17O-enriched NaNO3 as a model compound, in which the nitrate oxygen atoms undergo 3-fold jumps. Rotating frame (T1 rho), transverse (T2) and longitudinal (T1) relaxation times as well as line shapes were measured for the central transition in the 280 to 195 K temperature range at 14.1 and 18.8 T field strengths. We conduct experimental and theoretical comparison between different relaxation methods and demonstrate the advantage of combining data from multiple relaxation time and line shape measurements to obtain a more accurate determination of the dynamics as compared to either of the techniques alone. The computational framework for relaxation of spin 5/2 nuclei is developed using the numerical integration of the Liouville - von Neumann equation.
引用
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页数:11
相关论文
共 47 条
[1]  
Abragam A., 1961, PRINCIPLES NUCL MAGN
[2]   A NEW SCALING AND SQUARING ALGORITHM FOR THE MATRIX EXPONENTIAL [J].
Al-Mohy, Awad H. ;
Higham, Nicholas J. .
SIAM JOURNAL ON MATRIX ANALYSIS AND APPLICATIONS, 2009, 31 (03) :970-989
[3]   Spin-locking of half-integer quadrupolar nuclei in nuclear magnetic resonance of solids: Creation and evolution of coherences [J].
Ashbrook, SE ;
Wimperis, S .
JOURNAL OF CHEMICAL PHYSICS, 2004, 120 (06) :2719-2731
[4]   17O NMR spectroscopy of crystalline microporous materials [J].
Ashbrook, Sharon E. ;
Davis, Zachary H. ;
Morris, Russell E. ;
Rice, Cameron M. .
CHEMICAL SCIENCE, 2021, 12 (14) :5016-5036
[5]   Spin-locking of half-integer quadrupolar nuclei in nuclear magnetic resonance of solids: Second-order quadrupolar and resonance offset effects [J].
Ashbrook, Sharon E. ;
Wimperis, Stephen .
JOURNAL OF CHEMICAL PHYSICS, 2009, 131 (19)
[6]   From Ultraslow to Extremely Fast Dynamics in Sodium Nitrate: an 17O NMR Study [J].
Beerwerth, J. ;
Siegel, R. ;
Hoffmann, L. ;
Plaga, L. S. ;
Storek, M. ;
Bojer, B. ;
Senker, J. ;
Hiller, W. ;
Boehmer, R. .
APPLIED MAGNETIC RESONANCE, 2020, 51 (07) :597-620
[7]   Two-site jumps in dimethyl sulfone studied by one- and two-dimensional 17O NMR spectroscopy [J].
Beerwerth, J. ;
Storek, M. ;
Greim, D. ;
Lueg, J. ;
Siegel, R. ;
Cetinkaya, B. ;
Hiller, W. ;
Zimmermann, H. ;
Senker, J. ;
Boehmer, R. .
JOURNAL OF MAGNETIC RESONANCE, 2018, 288 :84-94
[8]   TENSOR OPERATOR-FORMALISM FOR MULTIPLE-QUANTUM NMR .1. SPIN-1 NUCLEI [J].
BOWDEN, GJ ;
HUTCHISON, WD .
JOURNAL OF MAGNETIC RESONANCE, 1986, 67 (03) :403-414
[9]   NUCLEAR MAGNETIC-RELAXATION OF SPIN 5/2 AND SPIN 7/2 NUCLEI INCLUDING THE EFFECTS OF CHEMICAL-EXCHANGE [J].
BULL, TE ;
FORSEN, S ;
TURNER, DL .
JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (06) :3106-3111
[10]   INVESTIGATIONS OF A NONRANDOM NUMERICAL-METHOD FOR MULTIDIMENSIONAL INTEGRATION [J].
CHENG, VB ;
SUZUKAWA, HH ;
WOLFSBERG, M .
JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (08) :3992-3999