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231225s2021 xx |||||o 00| ||eng c |
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|a 10.1002/mrc.5142
|2 doi
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|a pubmed25n1072.xml
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|a (DE-627)NLM321831918
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|a (NLM)33624858
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|a DE-627
|b ger
|c DE-627
|e rakwb
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|a eng
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|a Duong, Nghia Tuan
|e verfasserin
|4 aut
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|a On the use of radio-frequency offsets for improving double-quantum homonuclear dipolar recoupling of half-integer-spin quadrupolar nuclei
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|c 2021
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|a Text
|b txt
|2 rdacontent
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|a ƒaComputermedien
|b c
|2 rdamedia
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|a ƒa Online-Ressource
|b cr
|2 rdacarrier
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| 500 |
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|a Date Completed 09.09.2021
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|a Date Revised 09.09.2021
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|a published: Print-Electronic
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|a Citation Status PubMed-not-MEDLINE
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|a © 2021 John Wiley & Sons, Ltd.
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|a Detecting proximities between nuclei is crucial for atomic-scale structure determination with nuclear magnetic resonance (NMR) spectroscopy. Different from spin-1/2 nuclei, the methodology for quadrupolar nuclei is limited for solids due to the complex spin dynamics under simultaneous magic-angle spinning (MAS) and radio-frequency irradiation. Herein, the performances of several homonuclear rotary recoupling (HORROR)-based homonuclear dipolar recoupling sequences are evaluated for 27 Al (spin-5/2). It is shown numerically and experimentally on mesoporous alumina that BR 2 2 1 outperforms the supercycled S3 sequence and its pure double-quantum (DQ) (bracketed) version, [S3 ], both in terms of DQ transfer efficiency and bandwidth. This result is surprising since the S3 sequence is among the best low-power recoupling schemes for spin-1/2. The superiority of BR 2 2 1 is thoroughly explained, and the crucial role of radio-frequency offsets during its spin dynamics is highlighted. The analytical approximation of BR 2 2 1 , derived in an offset-toggling frame, clarifies the interplay between offset and DQ efficiency, namely, the benefits of off-resonance irradiation and the trough in DQ efficiency for BR 2 2 1 when the irradiation is central between two resonances, both for spin-1/2 and half-integer-spin quadrupolar nuclei. Additionally, density matrix propagations show that the BR 2 2 1 sequence, applied to quadrupolar nuclei subject to quadrupolar interaction much larger than radio-frequency frequency field, can create single- and multiple-quantum coherences for near on-resonance irradiation. This significantly perturbs the creation of DQ coherences between central transitions of neighboring quadrupolar nuclei. This effect explains the DQ efficiency trough for near on-resonance irradiation, in the case of both cross-correlation and autocorrelation peaks. Overall, this work aids experimental acquisition of homonuclear dipolar correlation spectra of half-integer-spin quadrupolar nuclei and provides theoretical insights towards improving recoupling schemes at high magnetic field and fast MAS
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|a Journal Article
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|a double-quantum
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|a half-integer-spin quadrupolar nuclei
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|a homonuclear dipolar recoupling
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4 |
|a magic-angle spinning (MAS) NMR
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| 700 |
1 |
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|a Lee, Daniel
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Mentink-Vigier, Frédéric
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Lafon, Olivier
|e verfasserin
|4 aut
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| 700 |
1 |
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|a De Paëpe, Gaël
|e verfasserin
|4 aut
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| 773 |
0 |
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|i Enthalten in
|t Magnetic resonance in chemistry : MRC
|d 1985
|g 59(2021), 9-10 vom: 10. Sept., Seite 991-1008
|w (DE-627)NLM098179667
|x 1097-458X
|7 nnas
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| 773 |
1 |
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|g volume:59
|g year:2021
|g number:9-10
|g day:10
|g month:09
|g pages:991-1008
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|u http://dx.doi.org/10.1002/mrc.5142
|3 Volltext
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|d 59
|j 2021
|e 9-10
|b 10
|c 09
|h 991-1008
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