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Chemical Shifts in Nuclear Magnetic Resonance

Nuclear Magnetic Resonance and Electron Spin Resonance Spectroscopy

  1. Scott E. Van Bramer

Published Online: 15 SEP 2006

DOI: 10.1002/9780470027318.a6103

Encyclopedia of Analytical Chemistry

Encyclopedia of Analytical Chemistry

How to Cite

Van Bramer, S. E. 2006. Chemical Shifts in Nuclear Magnetic Resonance. Encyclopedia of Analytical Chemistry. .

Author Information

  1. Widener University, Chester, USA

Publication History

  1. Published Online: 15 SEP 2006

Abstract

This article explains a variety of methods used to calculate 13C and proton (1H) chemical shifts for alkanes, alkenes, aromatic compounds, and cyclic compounds. Additivity rules, which account for the effect of different functional groups, are used to calculate chemical shifts for a wide range of compounds. Example calculations are provided for each rule, to clarify the use and for comparison with experimental results. The chemical shifts calculated with these rules are typically accurate to ±10 ppm for 13C nuclear magnetic resonance (NMR) and ±0.5 ppm for 1H-NMR.