Symmetry plays an important role in the retention or annihilation of a desired interaction Hamiltonian in NMR experiments. Here, we explore the role of symmetry in the radio-frequency interaction frame Hamiltonian of the refocused-continuous-wave (rCW) pulse scheme that leads to efficient 1H heteronuclear decoupling in solid-state NMR. It is demonstrated that anti-periodic symmetry of single-spin operators (, , ) in the interaction frame can lead to complete annihilation of the 1H–1H homonuclear dipolar coupling effects that induce line broadening in solid-state NMR experiments. This symmetry also plays a critical role in cancelling or minimizing the effect of 1H chemical-shift anisotropy in the effective Hamiltonian. An analytical description based on Floquet theory is presented here along with experimental evidences to understand the decoupling efficiency of supercycled (concatenated) rCW scheme.
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14 March 2017
Research Article|
March 10 2017
Significance of symmetry in the nuclear spin Hamiltonian for efficient heteronuclear dipolar decoupling in solid-state NMR: A Floquet description of supercycled rCW schemes
Asif Equbal;
Asif Equbal
1Center for Insoluble Protein Structures (inSPIN), Interdisciplinary Nanoscience Center (iNANO) and Department of Chemistry,
Aarhus University
, Gustav Wieds Vej 14, DK-8000 Aarhus C, Denmark
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Ravi Shankar;
Ravi Shankar
1Center for Insoluble Protein Structures (inSPIN), Interdisciplinary Nanoscience Center (iNANO) and Department of Chemistry,
Aarhus University
, Gustav Wieds Vej 14, DK-8000 Aarhus C, Denmark
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Michal Leskes
;
Michal Leskes
2Department of Materials and Interfaces,
Weizmann Institute of Science
, Rehovot 76100, Israel
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Shimon Vega;
Shimon Vega
3Department of Chemical Physics,
Weizmann Institute of Science
, Rehovot 76100, Israel
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Niels Chr. Nielsen;
Niels Chr. Nielsen
a)
1Center for Insoluble Protein Structures (inSPIN), Interdisciplinary Nanoscience Center (iNANO) and Department of Chemistry,
Aarhus University
, Gustav Wieds Vej 14, DK-8000 Aarhus C, Denmark
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P. K. Madhu
P. K. Madhu
a)
4
TIFR Centre for Interdisciplinary Sciences
, 21 Brundavan Colony, Narsingi, Hyderabad 500 075, India
5Department of Chemical Sciences,
Tata Institute of Fundamental Research
, Homi Bhabha Road, Colaba, Mumbai 400005, India
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a)
Electronic address: [email protected] and [email protected]
J. Chem. Phys. 146, 104202 (2017)
Article history
Received:
October 17 2016
Accepted:
February 16 2017
Citation
Asif Equbal, Ravi Shankar, Michal Leskes, Shimon Vega, Niels Chr. Nielsen, P. K. Madhu; Significance of symmetry in the nuclear spin Hamiltonian for efficient heteronuclear dipolar decoupling in solid-state NMR: A Floquet description of supercycled rCW schemes. J. Chem. Phys. 14 March 2017; 146 (10): 104202. https://doi.org/10.1063/1.4977738
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