Determination of Accurate F Chemical Shift Tensors with R-symmetry Recoupling at High MAS Frequencies (60-100 kHz)

Overview

Journal J Magn Reson

Publisher Elsevier

Date 2022 May 14

PMID 35568013

Authors

Gal Porat-Dahlerbruch

Jochem Struppe

Caitlin M Quinn

Angela M Gronenborn

Tatyana Polenova

Affiliations

Soon will be listed here.

Abstract

Fluorination is a versatile and valuable modification for numerous systems, and F NMR spectroscopy is the premier method for their structural characterization. F chemical shift anisotropy is a sensitive probe of structure and dynamics, even though F chemical shift tensors have been reported for only a handful of systems to date. Here, we explore γ-encoded R-symmetry based recoupling sequences for the determination of F chemical shift tensors in fully protonated organic solids at high, 60-100 kHz MAS frequencies. We show that the performance of F-RNCSA experiments improves with increasing MAS frequencies, and that H decoupling is required to determine accurate chemical shift tensor parameters. In addition, these sequences are tolerant to B-field inhomogeneity making them suitable for a wide range of systems and experimental conditions.

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