Accurate measurement of small heteronuclear coupling constants from pure-phase α/β HSQMBC cross-peaks

Sergi Gil, Juan Félix Espinosa, Teodor Parella

    Research output: Contribution to journalArticleResearchpeer-review

    36 Citations (Scopus)

    Abstract

    A simple proton-selective α/β-HSQMBC experiment is proposed for the accurate measurement of long-range proton-carbon coupling constants ( nJ CH) in small molecules without need for an individualized and time-consuming post-processing fitting procedure. The method acquires two pure-phase In-phase (IP) and Anti-phase (AP) multiplets completely free of any phase distortion due to the absence of J HH evolution. Accurate nJ CH values can be directly measured analyzing the relative displacement of the resulting IPAP cross-peaks. Discussion about signal intensity dependence and cross-talk is made for a range of experimental conditions. The robustness of the method is evaluated by comparing the nJ CH value measured from the analysis of the three available IP, AP and IPAP multiplet patterns. Multiple-frequency and region-selective versions of the method can also be efficiently recorded provided that excited protons are not mutually coupled. © 2011 Elsevier Inc. All rights reserved.
    Original languageEnglish
    Pages (from-to)145-150
    JournalJournal of Magnetic Resonance
    Volume213
    Issue number1
    DOIs
    Publication statusPublished - 1 Dec 2011

    Keywords

    • HSQMBC
    • IPAP
    • Long-range proton-carbon coupling constants
    • NMR
    • Spin-state selective

    Fingerprint Dive into the research topics of 'Accurate measurement of small heteronuclear coupling constants from pure-phase α/β HSQMBC cross-peaks'. Together they form a unique fingerprint.

  • Cite this

    Gil, S., Espinosa, J. F., & Parella, T. (2011). Accurate measurement of small heteronuclear coupling constants from pure-phase α/β HSQMBC cross-peaks. Journal of Magnetic Resonance, 213(1), 145-150. https://doi.org/10.1016/j.jmr.2011.09.036