THE LOCAL MODE MODEL IN SILANES AND GERMANES

Citation
D. Permogorov et A. Campargue, THE LOCAL MODE MODEL IN SILANES AND GERMANES, Molecular physics, 92(1), 1997, pp. 117-125
Citations number
61
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00268976
Volume
92
Issue
1
Year of publication
1997
Pages
117 - 125
Database
ISI
SICI code
0026-8976(1997)92:1<117:TLMMIS>2.0.ZU;2-B
Abstract
We have gathered the known experimental data concerning the stretching vibrational energy levels of SiH4 and GeH4 and their deuterated deriv ative including the recent overtone data in the visible range. Using t he local mode model developed by Halonen and Child, the two Morse func tion parameters a, D-e and the interbond potential coupling parameters f(n') were fitted to reproduce the XH4 (X=Si or Ge) energy levels. A root mean square deviation of 0.6 cm(-1) was achieved for both species . The same parameters were used to predict the energy levels of XD4, X HD3 and XH3D. The differences between the observed and predicted energ y levels show slight but systematic deviations for the XD stretching l evels which are discussed in relation with possible anharmonic interac tions between the stretching and the bending modes and with the mass d ependence of the indirect kinetic and potential couplings of the XH or XD bond oscillators through the bend.