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Volumn 71, Issue , 2015, Pages 96-107

Two-dimensional second-order quadrupolar exchange powder spectra for nuclei with half-integer spins. Calculations and an experimental example using oxygen NMR

Author keywords

Central line; Oxygen NMR; Second order quadrupole coupling; THF clathrate; Two dimensional spectroscopy

Indexed keywords

RESONANCE;

EID: 84955476735     PISSN: 09262040     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssnmr.2015.05.004     Document Type: Article
Times cited : (18)

References (58)
  • 10
    • 28444479161 scopus 로고    scopus 로고
    • Dynamic Effects in MAS and MQMAS NMR Spectra of Half-Integer Quadrupolar Nuclei: Calculations and an Application to the Double Perovskite Cryolite
    • M. Kotecha, S. Chauduri, C.P. Grey, and L. Frydman Dynamic Effects in MAS and MQMAS NMR Spectra of Half-Integer Quadrupolar Nuclei: Calculations and an Application to the Double Perovskite Cryolite J. Am. Chem. Soc. 127 2005 16701
    • (2005) J. Am. Chem. Soc. , vol.127 , pp. 16701
    • Kotecha, M.1    Chauduri, S.2    Grey, C.P.3    Frydman, L.4
  • 13
    • 84925773801 scopus 로고    scopus 로고
    • 17O Solid-State NMR Spectroscopy and First-Principles Calculations: Correlating Phosphate and Protonic Motion
    • 17O Solid-State NMR Spectroscopy and First-Principles Calculations: Correlating Phosphate and Protonic Motion J. Am. Chem. Soc. 137 2015 3867
    • (2015) J. Am. Chem. Soc. , vol.137 , pp. 3867
    • Kim, G.1    Griffin, J.M.2    Blanc, F.3    Haile, S.M.4    Clare, P.5
  • 16
    • 33746286593 scopus 로고    scopus 로고
    • 17O NMR - An introduction to the background principles and applications to inorganic materials
    • 17O NMR - an introduction to the background principles and applications to inorganic materials Chem. Soc. Rev. 35 2006 718
    • (2006) Chem. Soc. Rev. , vol.35 , pp. 718
    • Ashbrook, S.E.1    Smith, M.E.2
  • 17
    • 0000769739 scopus 로고
    • Multiple-quantum magic-angle spinning NMR: A new method for the study of quadrupolar nuclei in solids
    • A. Medek, J.S. Harwood, and L. Frydman Multiple-quantum magic-angle spinning NMR: A new method for the study of quadrupolar nuclei in solids J. Am. Chem. Soc. 117 1995 12779
    • (1995) J. Am. Chem. Soc. , vol.117 , pp. 12779
    • Medek, A.1    Harwood, J.S.2    Frydman, L.3
  • 19
    • 0035366873 scopus 로고    scopus 로고
    • Measurement of molecular motion in solids by nuclear magnetic resonance spectroscopy of half-integer quadrupole nuclei
    • J.H. Kristensen, and I. Farnan Measurement of molecular motion in solids by nuclear magnetic resonance spectroscopy of half-integer quadrupole nuclei J. Chem. Phys. 114 2001 9608
    • (2001) J. Chem. Phys. , vol.114 , pp. 9608
    • Kristensen, J.H.1    Farnan, I.2
  • 20
    • 0035913559 scopus 로고    scopus 로고
    • Anion Rotation and Cation Diffusion in Low-Temperature Sodium Orthophosphate: Results from Solid-State NMR
    • M. Witschas, H. Eckert, H. Freiheit, A. Putnis, G. Korus, and M. Jansen Anion Rotation and Cation Diffusion in Low-Temperature Sodium Orthophosphate: Results from Solid-State NMR J. Phys. Chem. A 105 2001 6808
    • (2001) J. Phys. Chem. A , vol.105 , pp. 6808
    • Witschas, M.1    Eckert, H.2    Freiheit, H.3    Putnis, A.4    Korus, G.5    Jansen, M.6
  • 21
    • 0036432941 scopus 로고    scopus 로고
    • Spin relaxation in isolated and coupled non-integer quadrupolar nuclei: Theory and application for I=3/2 nuclei
    • K. Müller Spin relaxation in isolated and coupled non-integer quadrupolar nuclei: Theory and application for I=3/2 nuclei Phys. Chem. Chem. Phys. 4 2002 5515
    • (2002) Phys. Chem. Chem. Phys. , vol.4 , pp. 5515
    • Müller, K.1
  • 24
    • 0002679910 scopus 로고    scopus 로고
    • 9Be Nuclei: Detection of Ultraslow Motion
    • 9Be Nuclei: Detection of Ultraslow Motion J. Magn. Reson. 133 1998 155
    • (1998) J. Magn. Reson. , vol.133 , pp. 155
    • Tang, X.P.1    Wu, Y.2
  • 25
    • 0043228957 scopus 로고    scopus 로고
    • 7Li echo NMR spectroscopy of slow ionic motions in a solid electrolyte
    • 7Li echo NMR spectroscopy of slow ionic motions in a solid electrolyte Chem. Phys. Lett. 316 2000 419
    • (2000) Chem. Phys. Lett. , vol.316 , pp. 419
    • Böhmer, R.1    Jörg, T.2    Qi, F.3    Titze, A.4
  • 27
    • 0002945667 scopus 로고    scopus 로고
    • Quadrupole Couplings in Nuclear Magnetic Resonance, General
    • R.A. Meyers, Wiley & Sons Chichester
    • P.P. Man Quadrupole Couplings in Nuclear Magnetic Resonance, General R.A. Meyers, Encyclopedia of Analytical Chemistry 2000 Wiley & Sons Chichester 12224 12265
    • (2000) Encyclopedia of Analytical Chemistry , pp. 12224-12265
    • Man, P.P.1
  • 28
    • 84891567947 scopus 로고
    • High-resolution solid-state NMR. Averaging of second-order effects by means of a double-rotor
    • A. Samoson, E. Lippmaa, and A. Pines High-resolution solid-state NMR. Averaging of second-order effects by means of a double-rotor Mol. Phys. 65 1988 1013
    • (1988) Mol. Phys. , vol.65 , pp. 1013
    • Samoson, A.1    Lippmaa, E.2    Pines, A.3
  • 29
    • 0001503615 scopus 로고
    • Towards high-resolution NMR of more nuclei in solids: Sample spinning with time-dependent spinner axis angle
    • A. Llor, and J. Virlet Towards high-resolution NMR of more nuclei in solids: Sample spinning with time-dependent spinner axis angle Chem. Phys. Lett. 152 1988 248
    • (1988) Chem. Phys. Lett. , vol.152 , pp. 248
    • Llor, A.1    Virlet, J.2
  • 31
    • 0002377088 scopus 로고    scopus 로고
    • Quadrupolar Nuclei in Solid-state Nuclear Magnetic Resonance
    • R.A. Meyers, Wiley & Sons
    • D. Freude Quadrupolar Nuclei in Solid-state Nuclear Magnetic Resonance R.A. Meyers, Encyclopedia of Analytical Chemistry 2000 Wiley & Sons 12188 12224
    • (2000) Encyclopedia of Analytical Chemistry , pp. 12188-12224
    • Freude, D.1
  • 32
    • 36849108732 scopus 로고
    • Nuclear magnetic resonance powder patterns of the second-order nuclear quadrupole interaction in solids with asymmetric field gradient
    • K. Narita, J. Umeda, and H. Kusumoto Nuclear magnetic resonance powder patterns of the second-order nuclear quadrupole interaction in solids with asymmetric field gradient J. Chem. Phys. 44 1966 2719
    • (1966) J. Chem. Phys. , vol.44 , pp. 2719
    • Narita, K.1    Umeda, J.2    Kusumoto, H.3
  • 33
    • 84917870199 scopus 로고
    • Magnetic resonance powder patterns in the presence of completely asymmetric quadrupole and chemical shift effects: Application to meta-vanadates
    • J.F. Baugher, P.C. Taylor, T. Oja, and P.J. Bray Magnetic resonance powder patterns in the presence of completely asymmetric quadrupole and chemical shift effects: Application to meta-vanadates J. Chem. Phys. 50 1969 4914
    • (1969) J. Chem. Phys. , vol.50 , pp. 4914
    • Baugher, J.F.1    Taylor, P.C.2    Oja, T.3    Bray, P.J.4
  • 34
    • 84912097361 scopus 로고    scopus 로고
    • Second-order quadrupole interaction based detection of ultra-slow motions: Tensor operator framework for central-transition spectroscopy and the dynamics in hexagonal ice as an experimental example
    • M. Adjei-Acheamfour, and R. Böhmer Second-order quadrupole interaction based detection of ultra-slow motions: Tensor operator framework for central-transition spectroscopy and the dynamics in hexagonal ice as an experimental example J. Magn. Reson. 249 2014 141
    • (2014) J. Magn. Reson. , vol.249 , pp. 141
    • Adjei-Acheamfour, M.1    Böhmer, R.2
  • 35
    • 0345059298 scopus 로고    scopus 로고
    • A deuteron NMR study of the tetrahydrofuran clathrate hydrate. Part I: Relaxation pathways
    • T.M. Kirschgen, M.D. Zeidler, B. Geil, and F. Fujara A deuteron NMR study of the tetrahydrofuran clathrate hydrate. Part I: Relaxation pathways Phys. Chem. Chem. Phys. 5 2003 5243
    • (2003) Phys. Chem. Chem. Phys. , vol.5 , pp. 5243
    • Kirschgen, T.M.1    Zeidler, M.D.2    Geil, B.3    Fujara, F.4
  • 36
    • 36749105209 scopus 로고
    • Deuteron spin alignment: A probe for studying ultraslow motions in solids and solid polymers
    • H.W. Spiess Deuteron spin alignment: A probe for studying ultraslow motions in solids and solid polymers J. Chem. Phys. 72 1980 6755
    • (1980) J. Chem. Phys. , vol.72 , pp. 6755
    • Spiess, H.W.1
  • 37
    • 0007063769 scopus 로고
    • Nuclear magnetic relaxation in a spin-1 system
    • K.R. Jeffrey Nuclear magnetic relaxation in a spin-1 system Bull. Magn. Reson 3 1981 69
    • (1981) Bull. Magn. Reson , vol.3 , pp. 69
    • Jeffrey, K.R.1
  • 38
    • 0346678929 scopus 로고    scopus 로고
    • Multiple-Time Correlation Functions in Spin-3/2 Solid-State NMR Spectroscopy
    • R. Böhmer Multiple-Time Correlation Functions in Spin-3/2 Solid-State NMR Spectroscopy J. Magn. Reson. 147 2000 78
    • (2000) J. Magn. Reson. , vol.147 , pp. 78
    • Böhmer, R.1
  • 39
    • 2642628181 scopus 로고
    • A Two-Dimensional Nuclear Overhauser Experiment with Pure Absorption Phase in Four Quadrants
    • D.J. States, R.A. Haberkorn, and D.J. Ruben A Two-Dimensional Nuclear Overhauser Experiment with Pure Absorption Phase in Four Quadrants J. Magn. Reson. 48 1982 286
    • (1982) J. Magn. Reson. , vol.48 , pp. 286
    • States, D.J.1    Haberkorn, R.A.2    Ruben, D.J.3
  • 40
    • 0000631220 scopus 로고
    • Relaxation-induced violations of coherence transfer selection rules in nuclear magnetic resonance
    • N. Müller, G. Bodenhausen, and R.R. Ernst Relaxation-induced violations of coherence transfer selection rules in nuclear magnetic resonance J. Magn. Reson. 75 1987 297
    • (1987) J. Magn. Reson. , vol.75 , pp. 297
    • Müller, N.1    Bodenhausen, G.2    Ernst, R.R.3
  • 41
    • 0002858684 scopus 로고
    • Quadrupole effects in solid-state nuclear magnetic resonance
    • Springer, Berlin
    • Here we adopt the convention used by, e.g., D. Freude, J. Haase, Quadrupole effects in solid-state nuclear magnetic resonance, in: NMR - Basic principles and progress, Vol. 29, 1-90, Springer, Berlin, 1993.
    • (1993) NMR - Basic Principles and Progress , vol.29 , pp. 1-90
    • Freude, D.1    Haase, J.2
  • 45
    • 84877769631 scopus 로고    scopus 로고
    • Quadrupolar Interactions
    • Wiley
    • P.P. Man Quadrupolar Interactions, in: Encyclopedia of Magnetic Resonance 2011 Wiley 10ging, Supplemeing, Supplement 1, Advances in Magnetic Resonance, Academic Press, 1976 or p. 24 of [2].
    • (2011) Encyclopedia of Magnetic Resonance
    • Man, P.P.1
  • 47
    • 0035913882 scopus 로고    scopus 로고
    • Dynamics of supercooled liquids and glassy solids
    • See Sec. 2.1.2 of R. Böhmer, G. Diezemann, G. Hinze, E. Rössler, Dynamics of supercooled liquids and glassy solids, Prog. Nucl. Magn. Reson, Spectrosc. 39 (2001) 191. The trajectory-based random-walk approach described in that article allows one to simulate intermediate spectra as well but typically at the expense of prolonged computation times.
    • (2001) Prog. Nucl. Magn. Reson, Spectrosc. , vol.39 , pp. 191
    • Böhmer, R.1    Diezemann, G.2    Hinze, G.3    Rössler, E.4
  • 48
    • 0346168028 scopus 로고
    • Orientation of Tensorial Interactions from 2D NMR Powder Spectra
    • M. Linder, A. Höhener, and R.R. Ernst Orientation of Tensorial Interactions from 2D NMR Powder Spectra J. Chem. Phys. 73 1980 4959
    • (1980) J. Chem. Phys. , vol.73 , pp. 4959
    • Linder, M.1    Höhener, A.2    Ernst, R.R.3
  • 49
    • 0000890808 scopus 로고    scopus 로고
    • Direct Determination of Motional Correlation Times by 1D MAS and 2D Exchange NMR Techniques
    • D.E. Favre, D.J. Schaefer, and B.F. Chmelka Direct Determination of Motional Correlation Times by 1D MAS and 2D Exchange NMR Techniques J. Magn. Reson. 134 1998 261
    • (1998) J. Magn. Reson. , vol.134 , pp. 261
    • Favre, D.E.1    Schaefer, D.J.2    Chmelka, B.F.3
  • 50
    • 0011835468 scopus 로고
    • NMR Studies of Quadrupole Couplings in Dimethyl Sulfone and Carbon Disulfide
    • A. Loewenstein, and D. Igner NMR Studies of Quadrupole Couplings in Dimethyl Sulfone and Carbon Disulfide J. Phys. Chem. 92 1988 2124
    • (1988) J. Phys. Chem. , vol.92 , pp. 2124
    • Loewenstein, A.1    Igner, D.2
  • 52
    • 0002781313 scopus 로고
    • Experimental aspects of multidimensional exchange solid-state NMR
    • D. Schaefer, J. Leisen, and H.W. Spiess Experimental aspects of multidimensional exchange solid-state NMR J. Magn. Reson. A 115 1995 60
    • (1995) J. Magn. Reson. A , vol.115 , pp. 60
    • Schaefer, D.1    Leisen, J.2    Spiess, H.W.3
  • 53
    • 0042257901 scopus 로고
    • Algorithm for Smoothing Data on a Rectangular Grid while Using Spline Functions
    • P. Dierckx, and A. Fast Algorithm for Smoothing Data on a Rectangular Grid while Using Spline Functions SIAM J. Numer. Anal. 19 1982 1286
    • (1982) SIAM J. Numer. Anal. , vol.19 , pp. 1286
    • Dierckx, P.1    Fast, A.2
  • 54
    • 0000809297 scopus 로고
    • Oxygen-17 quadru-pole coupling parameters for water in its various phases
    • H.W. Spiess, B.B. Garrett, R.K. Sheline, and S.W. Rabideau Oxygen-17 quadru-pole coupling parameters for water in its various phases J. Chem. Phys. 51 1969 1201
    • (1969) J. Chem. Phys. , vol.51 , pp. 1201
    • Spiess, H.W.1    Garrett, B.B.2    Sheline, R.K.3    Rabideau, S.W.4
  • 55
    • 36549101089 scopus 로고
    • 2D exchange NMR of powders. I. Two-time distribution functions
    • S. Wefing, and H.W. Spiess 2D exchange NMR of powders. I. Two-time distribution functions J. Chem. Phys. 89 1988 1219
    • (1988) J. Chem. Phys. , vol.89 , pp. 1219
    • Wefing, S.1    Spiess, H.W.2
  • 57
    • 41049107485 scopus 로고    scopus 로고
    • Calculations of stimulated echoes and two-dimensional nuclear magnetic resonance spectra for solids with simple line shapes
    • See also the discussion in Appendix A of B. Geil, G. Diezemann, and R. Böhmer Calculations of stimulated echoes and two-dimensional nuclear magnetic resonance spectra for solids with simple line shapes J. Chem. Phys. 128 2008 114506
    • (2008) J. Chem. Phys. , vol.128 , pp. 114506
    • Geil, B.1    Diezemann, G.2    Böhmer, R.3
  • 58
    • 38749119764 scopus 로고    scopus 로고
    • 17O NMR studies of organic and biological molecules, Prog
    • 17O NMR studies of organic and biological molecules, Prog NMR Spectrosc 52 2008 118
    • (2008) NMR Spectrosc , vol.52 , pp. 118
    • Wu, G.1


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