Understanding NMR Multiplet Structure with WinDNMR

A. Vidal-Ferran
Departmento de Química Orgànica, Universitat de Barcelona, Martí i Franquès 1-11, E-08028 Barcelona, Spain
N. Bampos
Department of Chemistry, Cambridge University, Lensfield Road, Cambridge CB2 1EW, UK
J. Chem. Educ., 2000, 77 (1), p 130
DOI: 10.1021/ed077p130
Publication Date (Web): January 1, 2000

Abstract

Interpreting the information encoded in the structure of a multiplet representing a nucleus (e.g., a proton) in nuclear magnetic resonance (NMR) spectroscopy allows us to construct a detailed picture of the molecule to which the nucleus belongs. To gain this understanding, we can employ interactive, user-friendly software packages (such as WinDNMR) on a conventional personal computer to investigate the effect of changing the constituent coupling constants on the appearance of a multiplet. As an example, a multiplet representing a proton coupled to three neighboring environments (four-spin system) is treated in detail. Exercises similar to those presented in this work could be incorporated into a practical component of a course dealing with the basic theoretical concepts of one-dimensional NMR spectroscopy.

Keywords (Audience):

Second-Year Undergraduate

Keywords (Domain):

Analytical Chemistry

Keywords (Pedagogy):

Computer-Based Learning

Keywords (Subject):

NMR Spectroscopy
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  • Received: August 03, 2009

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