title: A General Method for Extracting Individual Coupling Constants from Crowded (1)H NMR Spectra.
abstract: Couplings between protons, whether scalar or dipolar, provide a wealth of structural information. Unfortunately, the high number of (1)H-(1)H couplings gives rise to complex multiplets and severe overlap in crowded spectra, greatly complicating their measurement. Many different methods exist for disentangling couplings, but none approaches optimum resolution. Here, we present a general new 2D J-resolved method, PSYCHEDELIC, in which all homonuclear couplings are suppressed in F2, and only the couplings to chosen spins appear, as simple doublets, in F1. This approaches the theoretical limit for resolving (1)H-(1)H couplings, with close to natural linewidths and with only chemical shifts in F2. With the same high sensitivity and spectral purity as the parent PSYCHE pure shift experiment, PSYCHEDELIC offers a robust method for chemists seeking to exploit couplings for structural, conformational, or stereochemical analyses.
authors.affiliation: School of Chemistry, University of Manchester, Oxford Road, Manchester, M13 9PL, UK. Davy.Sinnaeve@UGent.be.|Department of Organic and Macromolecular Chemistry, Ghent University, Krijgslaan 281 S4, 9000, Ghent, Belgium. Davy.Sinnaeve@UGent.be.
authors.forename: Davy
authors.identifier: http://orcid.org/0000-0003-2556-5895
authors.initials: D
authors.lastname: Sinnaeve
authors.affiliation: School of Chemistry, University of Manchester, Oxford Road, Manchester, M13 9PL, UK.
authors.forename: Mohammadali
authors.identifier: http://orcid.org/0000-0001-8937-3118
authors.initials: M
authors.lastname: Foroozandeh
authors.affiliation: School of Chemistry, University of Manchester, Oxford Road, Manchester, M13 9PL, UK.
authors.forename: Mathias
authors.identifier: http://orcid.org/0000-0003-3301-7899
authors.initials: M
authors.lastname: Nilsson
authors.affiliation: School of Chemistry, University of Manchester, Oxford Road, Manchester, M13 9PL, UK.
authors.forename: Gareth A
authors.identifier: http://orcid.org/0000-0002-4859-6259
authors.initials: GA
authors.lastname: Morris
keywords: 1H-1H couplings; NMR spectroscopy; configuration determination; conformation analysis; structure elucidation