English
 
User Manual Privacy Policy Disclaimer Contact us
  Advanced SearchBrowse

Item

ITEM ACTIONSEXPORT

Released

Journal Article

Infrared Spectroscopy of Neutral C7H7 Isomers: Benzyl and Tropyl

MPS-Authors
/persons/resource/persons21859

Meijer,  Gerard
Molecular Physics, Fritz Haber Institute, Max Planck Society;

/persons/resource/persons21614

Helden,  Gert von
Molecular Physics, Fritz Haber Institute, Max Planck Society;

Locator
There are no locators available
Fulltext (public)
There are no public fulltexts available
Supplementary Material (public)
There is no public supplementary material available
Citation

Satink, R. G., Meijer, G., & Helden, G. v. (2003). Infrared Spectroscopy of Neutral C7H7 Isomers: Benzyl and Tropyl. Journal of the American Chemical Society, 125(51), 15714-15715. Retrieved from http://pubs.acs.org/cgi-bin/abstract.cgi/jacsat/2003/125/i51/abs/ja038329i.html.


Cite as: http://hdl.handle.net/11858/00-001M-0000-0011-0EA1-9
Abstract
The gas-phase infrared absorption spectra of neutral benzyl and tropyl, isomers of formula C7H7, have been measured in the 400-1800 cm-1 spectral region. In addition, a quantum chemical calculation has been performed to model the infrared spectra. For the benzyl radical, the theory shows satisfactory overlap with the experiment, although vibrations involving the CH2 group might be anharmonic. The tropyl radical, which is subject to the Jahn-Teller effect, seems well modeled for the out-of-plane vibrational modes, but less so for the in-plane vibrational modes.