Estimation of electrooptical parameters of EХ₃ molecules in ground and excited states from empirical correlation equations

详细信息    查看全文

• 作者：K. F. Khalitov ; V. F. Novikov ; F. G. Khalitov
• 关键词：ionization potential ; electron pair ; dipole moment ; vibration frequency ; ground state ; excited state
• 刊名：Russian Journal of General Chemistry
• 出版年：2016
• 出版时间：October 2016
• 年：2016
• 卷：86
• 期：10
• 页码：2288-2294
• 全文大小：
• 刊物类别：Chemistry and Materials Science
• 刊物主题：Chemistry/Food Science, general;
• 出版者：Pleiades Publishing
• ISSN：1608-3350
• 卷排序：86

文摘

Basing on the experimental data, it has been shown that for EХ₃ (E = N, P, As, or Sb; X = F, Cl, Br, I, CH₃, С₆Н₅, or SiH₃) compounds the value of the difference between first ionization potentials of atoms and molecules is a function of the bond angle and dipole moment of the molecule. The calculated values of dipole moments of charged atoms and groups are regularly changed within the considered compounds series. The change of the dipole moment of the molecules during the vibrational excitation has been determined, and intensities of symmetric stretching and deformation bands in IR spectra of EF₃ and ECl₃ compounds have been estimated.