Tag Archives: one-bond proton-carbon coupling constants

PhD Thesis by Laura Castañar: Pulse Programs and Data Set Examples

Development and application of modern pure shift NMR techniques and improved HSQC/HSQMBC experiments

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In the following links one can find Data Set Examples of each Publication presented in the Thesis Work, as well as the corresponding Pulse Program Code for Bruker. All 2D spectra have been previously phased and 2ii, 2ir, and 2ri files removed, otherwise data sets would be too big. Continue reading PhD Thesis by Laura Castañar: Pulse Programs and Data Set Examples

Review: Recent Advances in Small Molecule NMR: Improved HSQC and HSQMBC Experiments

annrep“Recent Advances in Small Molecule NMR: Improved HSQC and HSQMBC Experiments” by Laura Castañar and Teodor Parella. Annual Reports on NMR Spectroscopy, 2015, 84:163–232. DOI: 10.1016/bs.arnmr.2014.10.004

A general description of the latest developments in heteronuclear single-quantum correlation and heteronuclear single-quantum multiple bond correlation experiments designed for small molecules at the natural isotopic abundance is reported. Continue reading Review: Recent Advances in Small Molecule NMR: Improved HSQC and HSQMBC Experiments

Perfect-HSQC experiments: pure in-phase spectra

cover“Suppresión of phase and amplitude JHH modulations in HSQC experiments” by Laura Castañar, Eduard Sistaré, Albert Virgili, Robert Thomas Williamson and Teodor Parella. Magnetic Resonance in Chemistry, 2014 , 53:115-119. DOI: 10.1002/mrc.4149

The amplitude and the phase of cross peaks in conventional 2D HSQC experiments are modulated by both proton–proton, JHH, and proton–carbon, 1JCH, coupling constants. It is shown by spectral simulation and experimentally that JHH interferences are suppressed in a novel perfect-HSQC pulse scheme that incorporates perfect-echo INEPT periods. Continue reading Perfect-HSQC experiments: pure in-phase spectra

Easy measurement of one-bond proton-carbon and geminal proton-proton coupling constants in diastereotopic methylene groups

Straightforward measurement of individual 1J(CH) and 2J(HH) in diastereotopic CH2 groups” by Josep Saurí, Laura CastañarPau Nolis, Albert Virgili and Teodor ParellaJournal of Magnetic Resonance 242 (2014) 33–40DOI: 10.1016/j.jmr.2014.02.003

The C-HA cross-peak corresponding to a diastereotopic CHAHB methylene spin system exhibits a characteristic 1:0:1 multiplet pattern along the indirect dimension of a ω1-coupled HSQC spectrum. Continue reading Easy measurement of one-bond proton-carbon and geminal proton-proton coupling constants in diastereotopic methylene groups