Research on the vibration mode and Raman vibration spectrum of phosphate ion by the group theory method
Received date: 2018-06-15
Revised date: 2018-09-11
Online published: 2019-04-26
the vibration mode is analyzed. Then，according to selection rules of Raman spectroscopy，Raman activity of phosphate
ion is also discussed. Using the G matrix and F matrix of phosphate ion，we solve the prolonged equation of
simple positive vibration and got the Raman spectral frequency shift. By using the Demol3 program package under
the frame of density functional theory，the Raman vibration frequency shift for Phosphate ion are calculated and the
results are close to the data obtained above.
Key words： ; phosphate ion; group theory method; vibration mode; Raman vibration spectrum
KUANG Xiang-jun . Research on the vibration mode and Raman vibration spectrum of phosphate ion by the group theory method[J]. College Physics, 2019 , 38(3) : 20 . DOI: 10.16854 /j.cnki.1000-0712.180385
/
| 〈 |
|
〉 |
