Digitale Medien
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
104 (1996), S. 3472-3478
ISSN:
1089-7690
Quelle:
AIP Digital Archive
Thema:
Physik
,
Chemie und Pharmazie
Notizen:
We present the first photoacoustic absorption spectra of higher C–H stretching overtones in formaldehyde up to the visible spectral region. The analysis of the coarse rotational structure on the basis of asymmetric rotor simulations provides band centers up to the fifth overtone (vCH=6). A two dimensional normal coordinate model for the C–H stretching degrees of freedom explains the observed polyad structure of the spectrum using ab initio (MP2/6-311G**) potential energy and electric dipole functions. The observed intensity distribution reflects the increasing local mode character of higher overtone wave functions within the normal coordinate subspace. © 1996 American Institute of Physics.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1063/1.471537
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