𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A new approach to calculations of intensities of vibrational overtone transitions

✍ Scribed by A.L. Sobolewski

Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
422 KB
Volume
124
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

✦ Synopsis

A new approach to the theory of intenstties of vibrational overtone transitions is formulated in terms of vibrattonal coupling of the molecular ground state to excited electronic states. Model calculations indicate an Important role of nuclear geometry of the excited electronic states in determining overtone spectra. It is shown that the observed overtone spectrum of the CH stretching mode in benzene can be reproduced theoretically with the assumption that CH bond lengths in the E,, electronic state are shortened relative to the ground configuration.

A simple rule for qualitative prediction of the overtone spectra for diatomic molecules is proposed.

πŸ“œ SIMILAR VOLUMES

Calculated Vibrational Intensities in th
Calculated Vibrational Intensities in the ÖXΜƒ Electronic Transition of Acetylene
✍ James K.G Watson πŸ“‚ Article πŸ“… 2001 πŸ› Elsevier Science 🌐 English βš– 183 KB

Relative intensities in the vibrational structure of the Γƒ1 A u (C 2h )-X 1 + g (D ∞h ) electronic transition of acetylene are calculated. The calculation takes account of the large change of geometry and the change in the normal coordinates (the DushinskiΓ­ effect) between the two states. Because co

A New Approach To Solving A Type Of Vibr
A New Approach To Solving A Type Of Vibration Problem
✍ M. Xu; D. Cheng πŸ“‚ Article πŸ“… 1994 πŸ› Elsevier Science 🌐 English βš– 130 KB

The integral equation and the additional algebraic equations of the vibration of beams with elastic supports and elastically mounted concentrated masses are established. By applying integral equation theory, the frequency equation is derived in terms of the standard eigenvalue problem of a matrix an