Theoretical aspects of higher-order truncations in solid-state nuclear magnetic resonance

Goldman, M; Grandinetti, P J; Llor, A; Olejniczak, Z; Sachleben, J R; Zwanziger, J W

doi:10.1063/1.463321

Title: Theoretical aspects of higher-order truncations in solid-state nuclear magnetic resonance

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Abstract

Recent experimental developments of high-resolution NMR in solids (for example, double rotation and dynamic-angle spinning) address the reduction of second-order line broadening effects, particularly in systems involving quadrupolar nuclei such as {sup 23}Na, {sup 17}O, {sup 27}Al, and {sup 14}N. However, some aspects of the theoretical description of these systems have not been clearly understood; in particular, the various procedures available to truncate the interactions give incompatible results. We present a general framework, based on static perturbative methods, which provides a natural procedure to derive the correct Hamiltonian for higher-order effects in irreducible tensor form. Applications of this method to coherent averaging techniques (sample motion or radio-frequency irradiation) are described and compared to previous treatments based on average Hamiltonian theory.

Authors:

Goldman, M ^[1]; Grandinetti, P J; Llor, A; Olejniczak, Z; Sachleben, J R ^[2]; Zwanziger, J W ^[3]

Direction des Sciences de la Matiere DRECAM/SPEC, Commissariat a l'Energie Atomique, Saclay, 91191 Gif-sur-Yvette Cedex (France)
Materials Sciences Division, Lawrence Berkeley Laboratory, 1 Cyclotron Road, Berkeley, California 94720 (United States) Department of Chemistry, University of California, Berkeley, California 94720 (United States)
Department of Chemistry, Indiana University, Bloomington, Indiana 47405 (United States)

Publication Date:: Tue Dec 15 00:00:00 EST 1992

OSTI Identifier:: 7028777

DOE Contract Number:: AC03-76SF00098

Resource Type:: Journal Article

Journal Name:: Journal of Chemical Physics; (United States)

Additional Journal Information:: Journal Volume: 97:12; Journal ID: ISSN 0021-9606

Country of Publication:: United States

Language:: English

Subject:: 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; SOLIDS; NUCLEAR MAGNETIC RESONANCE; ALUMINIUM 27; CHEMISTRY; HAMILTONIANS; LINE BROADENING; NITROGEN 14; OXYGEN 17; PERTURBATION THEORY; QUADRUPOLES; SODIUM 23; ALKALI METAL ISOTOPES; ALUMINIUM ISOTOPES; EVEN-ODD NUCLEI; ISOTOPES; LIGHT NUCLEI; MAGNETIC RESONANCE; MATHEMATICAL OPERATORS; MULTIPOLES; NITROGEN ISOTOPES; NUCLEI; ODD-EVEN NUCLEI; ODD-ODD NUCLEI; OXYGEN ISOTOPES; QUANTUM OPERATORS; RESONANCE; SODIUM ISOTOPES; STABLE ISOTOPES; 665100* - Nuclear Techniques in Condensed Matter Physics - (1992-)

Citation Formats


                    Goldman, M, Grandinetti, P J, Llor, A, Olejniczak, Z, Sachleben, J R, and Zwanziger, J W. Theoretical aspects of higher-order truncations in solid-state nuclear magnetic resonance.  United States: N. p., 1992. 
        Web.  doi:10.1063/1.463321.

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                    Goldman, M, Grandinetti, P J, Llor, A, Olejniczak, Z, Sachleben, J R, & Zwanziger, J W. Theoretical aspects of higher-order truncations in solid-state nuclear magnetic resonance.  United States.  https://doi.org/10.1063/1.463321

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                    Goldman, M, Grandinetti, P J, Llor, A, Olejniczak, Z, Sachleben, J R, and Zwanziger, J W. 1992.  
        "Theoretical aspects of higher-order truncations in solid-state nuclear magnetic resonance".  United States.  https://doi.org/10.1063/1.463321.

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@article{osti_7028777,

  title        = {Theoretical aspects of higher-order truncations in solid-state nuclear magnetic resonance},

  author       = {Goldman, M and Grandinetti, P J and Llor, A and Olejniczak, Z and Sachleben, J R and Zwanziger, J W},

  abstractNote = {Recent experimental developments of high-resolution NMR in solids (for example, double rotation and dynamic-angle spinning) address the reduction of second-order line broadening effects, particularly in systems involving quadrupolar nuclei such as {sup 23}Na, {sup 17}O, {sup 27}Al, and {sup 14}N. However, some aspects of the theoretical description of these systems have not been clearly understood; in particular, the various procedures available to truncate the interactions give incompatible results. We present a general framework, based on static perturbative methods, which provides a natural procedure to derive the correct Hamiltonian for higher-order effects in irreducible tensor form. Applications of this method to coherent averaging techniques (sample motion or radio-frequency irradiation) are described and compared to previous treatments based on average Hamiltonian theory.},

  doi          = {10.1063/1.463321},

  url          = {https://www.osti.gov/biblio/7028777},
  journal      = {Journal of Chemical Physics; (United States)},

  issn         = {0021-9606},

  number       = ,

  volume       = 97:12,

  place        = {United States},

  year         = {Tue Dec 15 00:00:00 EST 1992},

  month        = {Tue Dec 15 00:00:00 EST 1992}

}

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