Access to experimentally infeasible spectra by pure-shift NMR covariance

André Fredi, Pau Nolis, Carlos Cobas, Teodor Parella

Research output: Contribution to journalArticleResearchpeer-review

10 Citations (Scopus)

Abstract

© 2016 Elsevier Inc. Covariance processing is a versatile processing tool to generate synthetic NMR spectral representations without the need to acquire time-consuming experimental datasets. Here we show that even experimentally prohibited NMR spectra can be reconstructed by introducing key features of a reference 1D CHn-edited spectrum into standard 2D spectra. This general procedure is illustrated with the calculation of experimentally infeasible multiplicity-edited pure-shift NMR spectra of some very popular homonuclear (ME-psCOSY and ME-psTOCSY) and heteronuclear (ME-psHSQC-TOCSY and ME-psHMBC) experiments.
Original languageEnglish
Pages (from-to)161-168
JournalJournal of Magnetic Resonance
Volume270
DOIs
Publication statusPublished - 1 Sep 2016

Keywords

  • Covariance NMR
  • Multiplicity-edited COSY
  • Multiplicity-edited HMBC
  • Multiplicity-edited TOCSY
  • Pure shift NMR

Fingerprint Dive into the research topics of 'Access to experimentally infeasible spectra by pure-shift NMR covariance'. Together they form a unique fingerprint.

Cite this