Anatomising Proton NMR Spectra with Pure Shift 2D J-Spectroscopy: A Cautionary Tale

Research output: Contribution to journalArticle


Analysis of proton NMR spectra has been a key tool in structure determination for over 60 years. A classic tool is 2D J-spectroscopy, but common problems are the difficulty of obtaining the absorption mode lineshapes needed for accurate results, and the need for a 45° shear of the final 2D spectrum. A novel 2D NMR method is reported here that allows straightforward determination of homonuclear couplings, using a modified version of the PSYCHE method to suppress couplings in the direct dimension. The method illustrates the need for care when combining pure shift data acquisition with multiple pulse methods.

Bibliographical metadata

Original languageEnglish
JournalChemical Physics Letters
Early online date17 Jan 2017
StatePublished - 2017