Title :

Rationalization of solid-state nmr multi-pulse decoupling strategies: coupling of spin i?=?� and half-integer quadrupolar nuclei

Author(s) :

Kouvatas, Cassandre [Auteur]
Ecole Nationale Supérieure de Chimie de Rennes [ENSCR]
Kanwal, Nasima [Auteur]
School of Chemistry [University of St Andrews]
Trebosc, Julien [Auteur]
Unité de Catalyse et Chimie du Solide (UCCS) - UMR 8181
Roiland, Claire [Auteur]
Ecole Nationale Supérieure de Chimie de Rennes [ENSCR]
Delevoye, Laurent [Auteur]
Unité de Catalyse et Chimie du Solide (UCCS) - UMR 8181
Ashbrook, Sharon E. [Auteur]
School of Chemistry [University of St Andrews]
Le Fur, Eric [Auteur]
Ecole Nationale Supérieure de Chimie de Rennes [ENSCR]
Le Polles, Laurent [Auteur]
Ecole Nationale Supérieure de Chimie de Rennes [ENSCR]

Journal title :

Journal of magnetic resonance (San Diego, Calif. . 1997)

Abbreviated title :

J. Magn. Reson.

Volume number :

303

Pages :

48-56

Publication date :

2019-04-06

ISSN :

1096-0856

English keyword(s) :

Solid state NMR
Multi-pulse decoupling
Heteronuclear scalar interaction
Half integer quadrupolar nucleus
Simulations
Resolution improvement
Characterization of inorganic materials

HAL domain(s) :

Chimie/Catalyse

English abstract : [en]

In this paper we undertake a study of the decoupling efficiency of the Multiple-Pulse (MP) scheme, and a rationalization of its parameterization and of the choice of instrumental set up. This decoupling scheme is known to ...
Show more >In this paper we undertake a study of the decoupling efficiency of the Multiple-Pulse (MP) scheme, and a rationalization of its parameterization and of the choice of instrumental set up. This decoupling scheme is known to remove the broadening of spin-1/2 spectra I, produced by the heteronuclear scalar interaction with a half-integer quadrupolar nucleus S, without reintroducing heteronuclear dipolar interaction. The resulting resolution enhancement depends on the set-up of the length of the series of pulses and delays of the MP, and some intrinsic material and instrumental parameters. Firstly through a numerical approach, this study investigates the influence of the main intrinsic material parameters (heteronuclear dipolar and J coupling, quadrupolar interaction, spin nature) and instrumental parameters (spinning rate, pulse field strength) on efficiency and resolution enhancement of the scalar decoupling scheme. A guideline is then proposed to obtain quickly and easily the best resolution enhancement via the rationalization of the instrumental and parameter set up. It is then illustrated and tested through experimental data, probing the efficiency of MP-decoupling set up using this guideline. Various spin systems were tested (31P-51V in VOPO4, 31P-93Nb in NbOPO4, 119Sn-17O in Y2Sn2O7), combined with simulations results.Show less >

Language :

Anglais

Audience :

Internationale

Popular science :

Non

Administrative institution(s) :

CNRS
Centrale Lille
ENSCL
Univ. Artois
Université de Lille

Collections :

• Unité de Catalyse et Chimie du Solide (UCCS) - UMR 8181

Research team(s) :

RMN et matériaux inorganiques (RM2I)

Submission date :

2022-03-02T07:13:53Z
2024-01-16T07:35:57Z