Photoabsorption and Photoionization Cross-Sections and Asymmetry Parameters of Pyrrole in the Vacuum-Ultraviolet Energy Range

被引:0
|
作者
Medeiros, Mariana B. M. S. [1 ]
Sousa, Josenilton N. [2 ]
Arruda, Manuela S. [1 ]
Fujimoto, Milton M. [3 ]
Homem, Manoel G. P. [4 ]
Tanaka, Helder K. [5 ]
Credidio, Bruno [1 ]
Marinho, Ricardo R. T. [6 ]
Prudente, Frederico V. [1 ]
机构
[1] Univ Fed Bahia, Inst Fis, BR-40170115 Salvador, BA, Brazil
[2] Inst Fed Baiano, BR-46430000 Guanambi, BA, Brazil
[3] Univ Fed Parana, Dept Fis, BR-81531980 Curitiba, PR, Brazil
[4] Univ Fed Sao Carlos, Dept Quim, BR-13565905 Sao Carlos, SP, Brazil
[5] Inst Fed Bahia, BR-45810000 Porto Seguro, BA, Brazil
[6] Univ Brasilia, Inst Fis, BR-70910970 Brasilia, DF, Brazil
来源
基金
巴西圣保罗研究基金会;
关键词
photoabsorption cross-sections; photoionization cross-sections; photoionization quantumyields; neutral-decay cross-sections; asymmetricparameters; five-membered heteroaromaticcompounds; ELECTRONIC STATES; ANGULAR-DISTRIBUTION; PHOTOELECTRON; FURAN; VALENCE; IONIZATION; MOLECULES; THIOPHENE; SPECTRA; CYCLOPENTADIENE;
D O I
10.1021/acsphyschemau.4c00101
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We carried out a joint experimental and theoretical investigation of the interaction of vacuum-ultraviolet radiation with pyrrole molecules in the gas phase. A double-ion chamber spectrometer was used to measure the absolute photoabsorption cross-sections and the photoionization quantum yields from the ionization threshold to 21.5 eV using synchrotron radiation. Moreover, photoionization and neutral-decay cross-sections on an absolute scale were derived directly from the measured data. In addition, theoretical results of the photoionization cross-section (PICS) and asymmetric parameters were obtained from the ionization threshold to 50.0 eV considering all valence orbitals. These calculations were performed using the Pade approximant technique to solve the Lippmann-Schwinger equation at the static-exchange (SE) and static-exchange-polarization (SEP) levels of approximation. Comparisons are also made with the experimental and theoretical data available in the literature. We report, for the first time, experimental ionization efficiency, neutral decay cross-sections, theoretical photoionization cross-sections for each valence orbital, and several asymmetry parameters. In general, the results are consistent and in good agreement with the available data.
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页数:12
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