Abstract
Absolute absorption intensities were calculated for the symmetry dipole forbidden n→ π ∗ transition in acetone. An analysis of the distribution per normal modes is performed and the results are compared with a recent calculation. Vibronic coupling mechanism is taken into account in a way that is different from the traditional Herzberg–Teller perturbation approach. In the present method the electronic transition moment is directly expanded in power series of the vibration normal coordinates. This approach was recently used for the equivalent n→ π ∗ transition in formaldehyde presenting an excellent agreement with the experimental results.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
