کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1408527 | 1501930 | 2006 | 10 صفحه PDF | دانلود رایگان |
![عکس صفحه اول مقاله: Stark effect in X2Y4 molecules: Application to ethylene Stark effect in X2Y4 molecules: Application to ethylene](/preview/png/1408527.png)
We present a development of the dipole moment and polarizability operators of X2Y4 molecules, using a tensorial formalism analogous to the one developed for tetrahedral and octahedral molecules [V. Boudon, J.-P. Champion, T. Gabard, M. Loëte, F. Michelot, G. Pierre, M. Rotger, Ch. Wenger, M. Rey, J. Mol. Spectrosc. 228 (2004) 620–634]. These operators are involved in the calculation of the intensities of rovibrational transitions as well as in the calculation of the Stark effect. Expressions for the matrix elements are derived. A model for the study of the Stark effect in isolated bands of such molecules is proposed and has been used to predict the Stark spectra of the ν12 band of ethylene. Values of the polarizability coefficients have been calculated using ab initio methods.
Journal: Journal of Molecular Structure - Volumes 780–781, 3 January 2006, Pages 70–79