Cookies Policy

This site uses cookies. By continuing to browse the site you are agreeing to our use of cookies.

I accept this policy

Find out more here

Transient resonance Raman and density functional theory study of the 7-bromo-2-fluorenylnitrenium cation

No metrics data to plot.
The attempt to load metrics for this article has failed.
The attempt to plot a graph for these metrics has failed.
The full text of this article is not currently available.

Brill’s MyBook program is exclusively available on BrillOnline Books and Journals. Students and scholars affiliated with an institution that has purchased a Brill E-Book on the BrillOnline platform automatically have access to the MyBook option for the title(s) acquired by the Library. Brill MyBook is a print-on-demand paperback copy which is sold at a favorably uniform low price.

Access this article

+ Tax (if applicable)
Add to Favorites
You must be logged in to use this functionality

image of Research on Chemical Intermediates

We report the first transient resonance Raman spectra for a halogen-substituted arylnitrenium ion, the 7-bromo-2-fluorenylnitrenium ion. The Raman band vibrational frequencies were found to be in good agreement with those predicted from density functional theory calculations for the singlet state of the 7-bromo-2-fluorenylnitrenium ion but not very well for the triplet state, particularly for the diagnostic 1530 cm−1 to 1650 cm−1 aromatic C=C stretch modes. This and the predicted 23.7 kcal/mol singlet-triplet energy gap with the singlet state being more stable indicates the transient resonance Raman spectra are due mainly to the singlet 7-bromo-2-fluorenylnitrenium ion. Comparison of the structures and properties of the 7-bromo-2-fluorenylnitrenium ion to the closely related 2-fluorenylnitrenium ion previously studied shows the 7-bromo substituent does not significantly perturb the iminocyclohexadienyl character of the 2-fluorenyl moiety and the structure of the first phenyl ring. However, the 7-bromo substituent does noticeably influence the structure of the second phenyl ring to which it is attached and also the normal mode character of a number of lower frequency modes with relatively delocalized character.


Full text loading...


Data & Media loading...

Article metrics loading...



Can't access your account?
  • Tools

  • Add to Favorites
  • Printable version
  • Email this page
  • Subscribe to ToC alert
  • Get permissions
  • Recommend to your library

    You must fill out fields marked with: *

    Librarian details
    Your details
    Why are you recommending this title?
    Select reason:
    Research on Chemical Intermediates — Recommend this title to your library
  • Export citations
  • Key

  • Full access
  • Open Access
  • Partial/No accessInformation