Issue 8, 2003
From the journal:

Physical Chemistry Chemical Physics

The vibrational spectra of norbornene and nadic anhydride†

Stewart F. Parker,*a   Kenneth P. J. Williams,b   Derek Steelec  and  Henryk Hermand  

* Corresponding authors

a ISIS Facility, Rutherford Appleton Laboratory, Chilton, Didcot, Oxon, UK
E-mail: S.F.Parker@RL.AC.UK
Fax: +44 1235 445720

b Transducer System Division, Renishaw plc, Old Town, Wotton-under-Edge, Gloucestershire, UK

c Royal Holloway and Bedford New College, Egham, Middlesex, UK

d Department of Chemistry, University of Surrey, Guildford, Surrey, UK

Abstract

The vibrational spectra of norbornene (bicyclo[2,2,1]hept-2-ene) and nadic anhydride (cis-endo-5-norbornene-2,3-dicarboxylic anhydride) have been investigated by infrared, Raman and inelastic neutron scattering spectroscopies and density functional theory (DFT). For norbornene, the five missing fundamentals have been located. In the C–H stretch region, the infrared and Raman spectra synthesised from the DFT calculations are shown to be in poor agreement with the experimental spectra. Visualisation of the C–H stretch modes shows that assignments made on the basis of group frequency correlations are incorrect. Nadic anhydride has not been previously investigated by vibrational spectroscopy. This paper demonstrates that with state-of-the-art inelastic neutron scattering spectra it is possible to successfully analyse complex systems that have not been studied before.

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Article information

DOI
https://doi.org/10.1039/B211967F
Article type
Paper
Submitted
05 Dec 2002
Accepted
17 Feb 2003
First published
03 Mar 2003

Phys. Chem. Chem. Phys., 2003,5, 1508-1514

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The vibrational spectra of norbornene and nadic anhydride

S. F. Parker, K. P. J. Williams, D. Steele and H. Herman, Phys. Chem. Chem. Phys., 2003, 5, 1508 DOI: 10.1039/B211967F

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