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+
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
MRCI studies on the electronic spectrum of GeO+
چکیده انگلیسی
Multireference configuration interaction studies were performed on low-lying states of GeO+. The ground state (GS) was found to be X2Π, 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 X2Π, 12Σ+ and 22Σ+. Other predicted stable states of GeO+ are 14Π, 14Σ+, at 2.89 and 3.27 eV, respectively, and 12Φ, 22Δ, 22Σ−, 32Σ+ and 32Π, 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 1–2, 8 August 2005, Pages 35-40
نویسندگان
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