Repository logo

Infoscience

  • English
  • French
Log In
Logo EPFL, École polytechnique fédérale de Lausanne

Infoscience

  • English
  • French
Log In
  1. Home
  2. Academic and Research Output
  3. Journal articles
  4. Rotational analysis of the origin and the inversion bands in the S1 (A2) ¬ S 0 (A1) electronic spectrum of acetaldehyde
 
research article

Rotational analysis of the origin and the inversion bands in the S1 (A2) ¬ S 0 (A1) electronic spectrum of acetaldehyde

Jalviste, E.
•
Berden, G.
•
Drabbels, M.  
Show more
2001
The Journal of Chemical Physics

Fully rotationally resolved spectra of the two lowest-frequency bands ~the origin (00 0 ) and the inversion (140 1) band! of the S1(n p*)ÃS0 transition of jet-cooled (Trot'6 K) acetaldehyde, CH3CHO, have been recorded with a resolution of '0.01 cm21 using a pulsed dye amplified continuous wave ~cw! laser. In modeling the spectra a nonperturbative solution of the rotational– torsional coupling problem was used, but the torsion–inversion and the rotation–inversion couplings were neglected. All the lines of the origin band were reproduced with a model using the same rotational–torsional Hamiltonian for the ground- and excited electronic state. The inversion band could not be described with this model, since the ordering of the torsional levels in the excited state is reversed. The measured spectrum was reproduced by using a rigid asymmetric rotor Hamiltonian for the two torsional levels in the excited state. Some rotational levels of 00 and 141 states were found to be shifted from their predicted energy values. These shifts were explained by an accidental resonance between the excited singlet level and some higher rovibronic triplet level. The relative intensities of the ab-type and c-type torsional subbands and the Herzberg–Teller– induced transition dipole moment direction, characterizing the ab-type subband, were determined by an intensity fit.

  • Details
  • Metrics
Type
research article
DOI
10.1063/1.1366643
Author(s)
Jalviste, E.
Berden, G.
Drabbels, M.  
Wodtke, A.M.
Date Issued

2001

Published in
The Journal of Chemical Physics
Volume

114

Issue

19

Article Number

8316

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
LCPM  
Available on Infoscience
February 10, 2006
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/222382
Logo EPFL, École polytechnique fédérale de Lausanne
  • Contact
  • infoscience@epfl.ch

  • Follow us on Facebook
  • Follow us on Instagram
  • Follow us on LinkedIn
  • Follow us on X
  • Follow us on Youtube
AccessibilityLegal noticePrivacy policyCookie settingsEnd User AgreementGet helpFeedback

Infoscience is a service managed and provided by the Library and IT Services of EPFL. © EPFL, tous droits réservés