19F‐detected dual‐optimized inverted 1JCC 1,n‐ADEQUATE

Modification of the recently reported 19F‐detected 1,1‐ADEQUATE experiment that incorporates dual‐optimization to selectively invert a wide range of 1JCC correlations in a 1,n‐ADEQUATE experiment is reported. Parameters for the dual‐optimization segment of the pulse sequence were modified to accommo...

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Bibliographic Details
Published in:Magnetic resonance in chemistry 2022-02, Vol.60 (2), p.210-220
Main Authors: Crouch, Ronald C., Raab, Jeffrey G., Pelmuş, Marius, Tischenko, Evgeny, Frey, Michael, Buevich, Alexei V., Reibarkh, Mikhail, Williamson, R. Thomas, Martin, Gary E.
Format: Article
Language:English
Subjects:
1,1‐ADEQUATE
1,n‐ADEQUATE
19F‐detection
Broadband
Correlation
Coupling (molecular)
dual‐optimization
isotope shifts
Optimization
Parameter modification
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Summary:Modification of the recently reported 19F‐detected 1,1‐ADEQUATE experiment that incorporates dual‐optimization to selectively invert a wide range of 1JCC correlations in a 1,n‐ADEQUATE experiment is reported. Parameters for the dual‐optimization segment of the pulse sequence were modified to accommodate the increased size of 1JCC homonuclear coupling constants of poly‐ and perfluorinated molecules relative to protonated molecules to allow broadband inversion of the 1JCC correlations. The observation and utility of isotope shifts are reported for the first time for 1,1‐ and 1,n‐ADEQUATE correlations. 19F‐Detected dual‐optimized inverted 1JCC 1,n‐ADEQUATE is reported for the first time. Amplitude transfer functions adjusted for the increased size of 13C‐13C coupling constants in fluorinated molecules are discussed as is the first reported observation of isotope shifts in any ADEQUATE data, with modified nomenclature proposed to define the isotope shifts inherent to the 1,1‐ and 1,n‐ADEQUATE correlations.
ISSN:0749-1581
1097-458X
DOI:10.1002/mrc.5215