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Updated: Mar 9, 2026

Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy
Published on: September 17, 2017
1JCH NMR Profile: Identification of Key Structural Features and Functionalities by Visual Observation and Direct
Núria Marcó1, Alexandre A Souza1,2, Pau Nolis1
1Servei de Ressonància Magnètica Nuclear, Universitat Autònoma de Barcelona , E-08193 Bellaterra (Barcelona) Catalonia, Spain.
Abstract:
A user-friendly NMR interface for the visual and accurate determination of experimental one-bond proton-carbon coupling constants (1JCH) in small molecules is presented. This intuitive 1JCH profile correlates directly to δ(1H), and 1JCH facilitates the rapid identification and assignment of 1H signals belonging to key structural elements and functional groups. Illustrative examples are provided for some target molecules, including terminal alkynes, strained rings, electronegative substituents, or lone-pair-bearing heteronuclei.
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