کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5415798 | 1393777 | 2007 | 11 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
The electronic spectrum of the SiC radical: A theoretical study
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: The electronic spectrum of the SiC radical: A theoretical study The electronic spectrum of the SiC radical: A theoretical study](/preview/png/5415798.png)
چکیده انگلیسی
Electronic structure and spectroscopic properties of the low-lying electronic states of the SiC radical have been determined from the ab initio based configuration interaction calculations. Potential energy curves of 32 Î-S states of singlet, triplet, and quintet spin multiplicities have been constructed. Spectroscopic constants (re, Te, and Ïe) of 23 states within 6 eV are reported and compared with the existing data. The dipole moments (μe) of most of these states at their respective equilibrium bond lengths have been computed. Effects of the spin-orbit coupling on the spectroscopic properties of SiC have been studied. The E3Î state is found to be an important one which has not been studied before. A transition of the type E3Î -X3Î is predicted to take place in the range 25 000-26 000 cmâ1. The partial radiative lifetimes for several electric dipole allowed transitions such as A3Σ+-X3Î , B3Σ+-X3Î , C3Î -X3Î , D3Î-X3Î , E3Î -X3Î etc. have been reported.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Spectroscopy - Volume 244, Issue 1, July 2007, Pages 13-23
Journal: Journal of Molecular Spectroscopy - Volume 244, Issue 1, July 2007, Pages 13-23
نویسندگان
Anup Pramanik, Kalyan Kumar Das,