Dataset for: Clean pure shift 2D J-resolved spectroscopy

2017-10-27T08:10:00Z (GMT) by Davy Sinnaeve
2D J-resolved spectroscopy is one of the oldest and conceptually most elegant ways to separate homonuclear scalar couplings from chemical shift information. In practice, the classical experiment suffers from a number of complications that limits accuracy and resolution, including phasetwist lineshapes, strong coupling artifacts and the need for shearing the spectrum by 45° to obtain a (J,δ)-representation. Here, a novel pure shift 2DJ experiment based on the TSE-PSYCHE experiment is reported that deals with all these issues. Previous experiments proposed z-filtration to avoid excessive artifacts caused by chunked pure shift acquisition. It will be shown that these artifacts can also easily be avoided by means of the Pell-Keeler method. As opposed to its z-filtered counterparts, the new experiment provides pure shift 2DJ spectra that are free of artifacts from pulse imperfections and minimize responses related to strong coupling. In this way, multiplet analysis becomes possible at maximal resolution and a minimum of spectral complications.