An Ultrawide-Line 139La Solid-State NMR Investigation of Layered La(OH)2NO3

doi:10.11938/cjmr20192755

Abstract

Abstract: Layered rare earth hydroxides are new classes of functional materials. In this study, a layered La(OH)₂NO₃ compound having both ion-exchange capacity and non-linear optical property was studied by solid-state nuclear magnetic resonance (SSNMR) spectroscopy. The quadrupolar Carr-Purcell-Meiboom-Gill sequence (QCPMG) was used to acquire ¹³⁹La SSNMR sub-spectra with variable offsets, from which the ultrawide-line spectrum was reconstructed by co-addition after applying a filtering function. The ultrawide-line spectrum consisted of both center and satellite transition line shapes, which were also simulated with the QUEST software. The ¹³⁹La C_Q and η_Q values measured by SSNMR experiments agreed well with those calculated with the Cambridge Sequential Total Energy Package (CASTEP). The ¹³⁹La SSNMR results unambiguously indicated that the layered La(OH)₂NO₃ compound studied belongs to a non-centrosymmetric space group of P2₁.

Key words: ¹³⁹La solid-state NMR, ultrawide-line NMR spectrum, quadrupole nucleus, QCPMG pulse sequence, layered compounds

CLC Number:

O482.53

FENG Zong-jing, DU Ya-ping, LUO Feng, XU Jun. An Ultrawide-Line ¹³⁹La Solid-State NMR Investigation of Layered La(OH)₂NO₃[J]. Chinese Journal of Magnetic Resonance, 2020, 37(1): 76-85.

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An Ultrawide-Line ¹³⁹La Solid-State NMR Investigation of Layered La(OH)₂NO₃

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