title: One-Shot Determination of Residual Dipolar Couplings: Application to the Structural Discrimination of Small Molecules Containing Multiple Stereocenters.
abstract: A novel approach for the fast and efficient structural discrimination of molecules containing multiple stereochemical centers is described. A robust J-resolved HSQC experiment affording highly resolved1JCH/1TCHsplittings along the indirect dimension and homodecoupled1H signals in the detected dimension is proposed. The experiment enables in situ distinction of both isotropic and anisotropic components of molecules dissolved in compressed PMMA gels, allowing a rapid and direct one-shot determination of accurate residual dipolar coupling constants from a single NMR spectrum.
authors.affiliation: Servei de Ressonància Magnètica Nuclear, Universitat Autònoma de Barcelona , E-08193 Bellaterra (Barcelona), Catalonia, Spain.
authors.forename: Laura
authors.initials: L
authors.lastname: Castañar
authors.affiliation: Department of Chemistry, Carnegie Mellon University , Pittsburgh, Pennsylvania 15213, United States.
authors.forename: Manuela
authors.initials: M
authors.lastname: Garcia
authors.affiliation: Department of Chemistry, Carnegie Mellon University , Pittsburgh, Pennsylvania 15213, United States.
authors.forename: Erich
authors.initials: E
authors.lastname: Hellemann
authors.affiliation: Servei de Ressonància Magnètica Nuclear, Universitat Autònoma de Barcelona , E-08193 Bellaterra (Barcelona), Catalonia, Spain.
authors.forename: Pau
authors.initials: P
authors.lastname: Nolis
authors.affiliation: Department of Chemistry, Carnegie Mellon University , Pittsburgh, Pennsylvania 15213, United States.
authors.forename: Roberto R
authors.initials: RR
authors.lastname: Gil
authors.affiliation: Servei de Ressonància Magnètica Nuclear, Universitat Autònoma de Barcelona , E-08193 Bellaterra (Barcelona), Catalonia, Spain.
authors.forename: Teodor
authors.initials: T
authors.lastname: Parella