Journal of Jilin University Science Edition
Previous Articles Next Articles
BAO Jie, OU Renxia
Received:
Online:
Published:
Contact:
Abstract: Using density functional theory B3P86 and time\|dependent density functional theory (TD\|DFT) method, we calculated excitation energy, transition wavelengths and oscillator strength of chiral C13H10N2O4 molecules from ground state to the excited states of 1—8 at the level of 6-311++G(2-df -) basis sets, and studied the influence of the excited states of chiral C13H10N2O4 molecules under different external electric fields. The results show that the excitation energies Δ E of each excited state of C13H10N2O4 molecule increases with the increase of the electric field intensity, that is, the electron isn’t easy to be excited under the limited external electric field.
Key words: excited state, external electric field, thalidomide
CLC Number:
BAO Jie, OU Renxia. Spectral Properties of Chiral Molecule of Thalidomide under Asymmetric External Electric Field[J].Journal of Jilin University Science Edition, 2017, 55(03): 696-701.
0 / / Recommend
Add to citation manager EndNote|Reference Manager|ProCite|BibTeX|RefWorks
URL: http://xuebao.jlu.edu.cn/lxb/EN/
http://xuebao.jlu.edu.cn/lxb/EN/Y2017/V55/I03/696
Cited