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19F-detected dual-optimized inverted 1JCC 1,n-ADEQUATE |
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| Authors: | Ronald C Crouch Jeffrey G Raab Marius Pelmu? Evgeny Tischenko Michael Frey Alexei V Buevich Mikhail Reibarkh R Thomas Williamson Gary E Martin |
| Institution: | 1. Analytical Instruments, JEOL USA Inc., Peabody, MA, USA;2. Department of Chemistry and Biochemistry, University of North Carolina Wilmington, Wilmington, NC, USA;3. Department of Chemistry, Seton Hall University, South Orange, NJ, USA
Merck and Co., Inc., Kenilworth, NJ, USA;4. Analytical Research and Development, Merck and Co., Inc., Rahway, NJ, USA;5. Department of Chemistry, Seton Hall University, South Orange, NJ, USA |
| Abstract: | 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. |
| Keywords: | 1 1-ADEQUATE 1 n-ADEQUATE 19F-detection dual-optimization isotope shifts |