Multiplicity‐edited ¹H‐¹H TOCSY experiment

Abstract

A H- H total correlation spectroscopy (TOCSY) experiment incorporating C multiplicity information is proposed. In addition, broadband H homodecoupling in the indirect dimension can be implemented using a perfect BIRD module that affords exclusive H chemical shift evolution with full decoupling of all heteronuclear and homonuclear (including J ) coupling constants. As a complement to the normal TOCSY and the recent PSYCHE-TOCSY experiments, this novel multiplicity-edited TOCSY experiment distinguishes between CH/CH (phased up) and CH (phased down) cross-peaks, which facilitates resonance analysis and assignment.

Conformational Analysis of 1,5-Diaryl-3-Oxo-1,4-Pentadiene Derivatives: A Nuclear Overhauser Effect Spectroscopy Investigation

“…The assignment of resonance signals in the obtained spectra corresponding to hydrogen atoms in the structure of the molecules (see Figure 3) was performed using techniques such as 13 C (Figures S1 and S2) 1 H- 13 C HSQC (Figures S3 and S4), 1 H- 13 C HMBC (Figures S5 and S6), and 1 H-1 H TOCSY (Figures S7-S10). The analysis made it possible to establish correlations between hydrogen and carbon atoms connected by one ( 1 H-13 C HSQC) [29] or more ( 1 H- 13 C HMBC) chemical bonds [30,31], as well as interactions between hydrogens in a continuous chain of chemical bonds ( 1 H-1 H TOCSY) [32][33][34]. To determine the probable conformation of the molecules of the compounds under study, 1 H spectra were analyzed using the NMR method.…”

“…The experiment was repeated 32 times. Homonuclear 1 H-1 H TOCSY (total correlation spectroscopy) [33,80,81] spectra were obtained at various mixing durations (20 ms and 100 ms) within the spectral range of 13 ppm × 13 ppm. The number of accumulations was 16.…”