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WFRF:(Pell Andrew J.)
 

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LIBRIS Formathandbok  (Information om MARC21)
FältnamnIndikatorerMetadata
00002889nam a2200361 4500
001oai:DiVA.org:su-202957
003SwePub
008220318| | |||||||||||000 ||eng|
024a https://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-2029572 URI
040 a (SwePub)su
041 a engb eng
042 9 SwePub
072 7a vet2 swepub-contenttype
072 7a ovr2 swepub-publicationtype
100a Carvalho, José P.u Stockholms universitet,Avdelningen för fysikalisk kemi4 aut0 (Swepub:su)joal7751
2451 0a Half-integer-spin quadrupolar nuclei in magic-angle spinning paramagnetic NMR :b The case of NaMnO2
338 a print2 rdacarrier
520 a A combination of solid-state NMR methods for the extraction of shift and quadrupolar parameters for half-integer nuclei in the structurally complex NaMnO2 Na-ion cathode material, under magic-angle spinning (MAS) is presented. We show that the integration of the Magic-Angle Turning experiment with Rotor-Assisted Population transfer can be used both to identify shifts and to extract a range of magnitudes for their quadrupolar coupling. We also demonstrate the applicability of the the two-dimensional one pulse (TOP) based double-sheared Satellite Transition Magic-Angle Spinning (TOP-STMAS) showing how it can yield a spectrum with separated shift and second-order quadrupolar anisotropies, which in turn can be used to analyse a quadrupolar lineshape free of bulk magnetic susceptibility induced shift dispersion and determine both isotropic shift and quadrupolar products. Combining all these experiments, the shift and quadrupolar parameters for all observed Na environments were extracted and yielded excellent agreement with the density functional theory (DFT) based models that were reported in previous literature. We expect these methods to open the door for new possibilities for solid-state NMR to probe half-integer quadrupolar nuclei in paramagnetic materials and other systems exhibiting large shift dispersion. 
650 7a NATURVETENSKAPx Kemix Fysikalisk kemi0 (SwePub)104022 hsv//swe
650 7a NATURAL SCIENCESx Chemical Sciencesx Physical Chemistry0 (SwePub)104022 hsv//eng
653 a Paramagnetic NMR
653 a Solid-state NMR
653 a Magic-angle spinning
653 a Quadrupolar interaction
653 a TOP-STMAS
653 a RAPT
653 a MAT
653 a Physical Chemistry
653 a fysikalisk kemi
700a Papawassiliou, Wassilios,d 1991-u Stockholms universitet,Institutionen för material- och miljökemi (MMK)4 aut0 (Swepub:su)wpapa
700a Pell, Andrew J.u Stockholms universitet,Institutionen för material- och miljökemi (MMK),Université de Lyon, France4 aut0 (Swepub:su)apell
710a Stockholms universitetb Avdelningen för fysikalisk kemi4 org
8564 8u https://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-202957

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