Investigation of Dependence of the Electronic Transition Moment for K→Π* Excitation and Kshell Ionization Spectra of O2 and CO Molecules

سال انتشار: 1388
نوع سند: مقاله کنفرانسی
زبان: انگلیسی
مشاهده: 587

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شناسه ملی سند علمی:

ISPTC12_143

تاریخ نمایه سازی: 27 شهریور 1393

چکیده مقاله:

The understanding of core excitation and ionization in molecules is directly profiting from the continuous progress in third-generation synchrotron radiation sources and the development of soft X-ray monochromators. Recently, Coreno et al. measured the first vibrationally resolved near-edge X-ray absorption fine structure (NEXAFS) of the O K→Π* excitation in CO and O2 molecules using synchrotron radiation [1]. Farrokhpour et al. recorded the high resolution K-edge photoelectron spectrum of the ground and metastable O2 (a1Δg) molecule using synchrotron radiation. For example, The recorded excitation spectra of CO and O2 have been shown in Fig. 1a and 1b.Coreno et al. reported the first complete Franck-Condon analysis of the above spectra and reported the spectroscopic constant of the 3Π and 1Π states of O2 and CO, respectively. Farrokhpour et al. reported the spectroscopic parameters of the 4Σ ¯, 2Σ ¯ and 2Δ states of the Kshell ionized O2 molecule. Their fitting procedure assumes the vibrational frequency and the intensity of each vibrational peak as independent parameters and Franck-Condon analysis is done by varing one parameter (equilibrium distance). The estimation of the equilibrium distance of each final state by this method is not accurate and the Franck-Condon analysis should be done by changing thevibrational frequency and the equilibrium distance simultaneously. Also, the dependency of the electronic transition moment Re(r) should be included in the analysis of spectra. Therefore, the dependence of the electronic transition moment Re(r), for the transitions considered in this work, is investigated and the spectroscopic parameters of the final states are revisited.

نویسندگان

H. Farrokhpour

Department of Chemistry, Isfahan University of Technology, Isfahan ۸۴۱۵۶-۸۳۱۱۱, Iran

Z. Siahpoosh

Department of Chemistry, Isfahan University of Technology, Isfahan ۸۴۱۵۶-۸۳۱۱۱, Iran

M. Tabrizchi

Department of Chemistry, Isfahan University of Technology, Isfahan ۸۴۱۵۶-۸۳۱۱۱, Iran