Insight into the factors influencing NMR parameters in crystalline materials from the KF–YF3binary system-Reference-Cited by-同舟云学术

Insight into the factors influencing NMR parameters in crystalline materials from the KF–YF3binary system

Published:2019 Issue:2 Volume:48 Page:587-601
ISSN:1477-9226
Container-title:Dalton Transactions
language:en
Short-container-title:Dalton Trans.

Author:

Dabachi Jamal¹²³⁴⁵,Body Monique¹²³⁴⁵^ORCID,Dittmer Jens¹²³⁴⁵^ORCID,Rakhmatullin Aydar⁶⁷⁸⁹⁵^ORCID,Fayon Franck⁶⁷⁸⁹⁵^ORCID,Legein Christophe¹²³⁴⁵^ORCID

Affiliation:

1. Institut des Molécules et Matériaux du Mans (IMMM)

2. UMR 6283 CNRS

3. Le Mans Université

4. Le Mans

5. France

6. CNRS

7. CEMHTI UPR3079

8. Université d'Orléans

9. F-45071 Orléans

Abstract

DFT calculations help to assign the¹⁹F,⁸⁹Y and³⁹K NMR spectra of complex fluoride materials, leading to insight into the factors influencing NMR parameters.

Funder

Centre National de la Recherche Scientifique

Publisher

Royal Society of Chemistry (RSC)

Subject

Inorganic Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2019/DT/C8DT03241F

Reference95 articles.

1. All-electron magnetic response with pseudopotentials: NMR chemical shifts

2. Calculation of NMR chemical shifts for extended systems using ultrasoft pseudopotentials

3. The PAW/GIPAW approach for computing NMR parameters: A new dimension added to NMR study of solids

Cited by 8 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Deciphering the structural evolutions and electronic features of Nd3+:K2YF5 nanocrystals;Computational Materials Science;2024-01

2. Structural Modeling of O/F Correlated Disorder in TaOF₃ and NbOF_3–x(OH)_x by Coupling Solid-State NMR and DFT Calculations;Inorganic Chemistry;2023-09-25

3. Recent progress in solid-state NMR of spin-½ low-γ nuclei applied to inorganic materials;Physical Chemistry Chemical Physics;2023

4. Unraveling the superior role of dicarboxylic acids as surface chelators in Eu3+-doped yttrium fluorides: A systematic modulation of the crystal phases and morphologies for highly tuned optical performance;Journal of Alloys and Compounds;2021-11

5. Advances in the computation of NMR parameters for inorganic nuclides;Reference Module in Chemistry, Molecular Sciences and Chemical Engineering;2021