کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
9575225 | 1504344 | 2005 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
MRCI studies on the electronic spectrum of GeO+
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موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
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چکیده انگلیسی
Multireference configuration interaction studies were performed on low-lying states of GeO+. The ground state (GS) was found to be X2Î , with 12Σ+ lying 0.22 eV higher. Based on the observed vertical ionization potentials, 12Σ+ had been assigned as GS in previous experimental work. Calculated Re, Te and De values, as well as ionization potentials, are in good agreement with experimental data available for X2Î , 12Σ+ and 22Σ+. Other predicted stable states of GeO+ are 14Î , 14Σ+, at 2.89 and 3.27 eV, respectively, and 12Φ, 22Î, 22Σâ, 32Σ+ and 32Î , with Te's in the 5.1-5.4 eV region. The results obtained for GeO+ are related to those found for other isovalent diatomic cations.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics - Volume 315, Issues 1â2, 8 August 2005, Pages 35-40
Journal: Chemical Physics - Volume 315, Issues 1â2, 8 August 2005, Pages 35-40
نویسندگان
Christopher M. Clouthier, Friedrich Grein,