Fermi resonance structure in the CH vibrational overtones of CD3CHO

Article abstract of DOI:10.1063/1.455805

Gas-phase fundamental and CH and CO overtone spectra (700-17 500 cm^-1) of 2,2,2- trideuteroacetaldehyde were recorded using FTIR and laser photoacoustic techniques.The Fermi resonance structure in the overtone spectra of the coupled CH stretching and in-plane CH bending vibrations is analy zed with a tridiagonal Hamiltonian yielding a large effective coupling constant, <*>=93 cm^-1, corresponding to subpicosecond redistribution times.No coupling between the out- of plane CH bending mode and the Fermi resonance system is apparent.This study presents the first detailed analysis of the anharmonic couplings in the CH chromophore at an sp2 carbon atom.The in- plane CH bending vibration couples in a manner similar to the CH ( sp³ ) bending vibrations, whereas the out-of plane bending vibration is decoupled, similar to the CH(sp) bending vibrations.

Full text of DOI:10.1063/1.455805

Fermi resonance structure in the CH vibrational overtones of CD3CHO
A. Amrein, H. Hollenstein, M. Quack, R. Zenobi, J. Segall, and R. N. Zare
Citation: The Journal of Chemical Physics 90, 3944 (1989); doi: 10.1063/1.455805
View online: http://dx.doi.org/10.1063/1.455805
View Table of Contents: http://scitation.aip.org/content/aip/journal/jcp/90/8?ver=pdfcov
Published by the AIP Publishing
Articles you may be interested in
Fermi resonances in overtone spectra of bromoform, CHBr3
J. Chem. Phys. 92, 3278 (1990); 10.1063/1.457886
Fermi resonances between CH stretching and bending vibrations in CHF3, CHCl3, and (CF3)3CH
J. Chem. Phys. 90, 6980 (1989); 10.1063/1.456681
Tridiagonal Fermi resonance structure in the vibrational spectrum of the CH chromophore in CHF3. II. Visible
spectra
J. Chem. Phys. 86, 634 (1987); 10.1063/1.452318
Tridiagonal Fermi resonance structure in the IR spectrum of the excited CH chromophore in CF3H
J. Chem. Phys. 81, 3779 (1984); 10.1063/1.448178
Intramolecular vibrational relaxation and spectra of CH and CD overtones in benzene and perdeuterobenzene
J. Chem. Phys. 81, 1115 (1984); 10.1063/1.447805
This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP:
129.24.51.181 On: Fri, 28 Nov 2014 03:54:02

This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP:
129.24.51.181 On: Fri, 28 Nov 2014 03:54:02

This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP:
129.24.51.181 On: Fri, 28 Nov 2014 03:54:02

This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP:
129.24.51.181 On: Fri, 28 Nov 2014 03:54:02

This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP:
129.24.51.181 On: Fri, 28 Nov 2014 03:54:02

This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP:
129.24.51.181 On: Fri, 28 Nov 2014 03:54:02

This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP:
129.24.51.181 On: Fri, 28 Nov 2014 03:54:02

This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP:
129.24.51.181 On: Fri, 28 Nov 2014 03:54:02

This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP:
129.24.51.181 On: Fri, 28 Nov 2014 03:54:02