کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
9575512 | 1504350 | 2005 | 11 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
HCN2+ dication spectroscopy: theoretical and experimental investigations
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موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: HCN2+ dication spectroscopy: theoretical and experimental investigations HCN2+ dication spectroscopy: theoretical and experimental investigations](/preview/png/9575512.png)
چکیده انگلیسی
The present work combines experimental and theoretical investigations of HCN2+ to investigate the spectroscopy and dissociation dynamics of this dication. Its spectrum is a complex blend of overlapping features, consistent with theoretical calculations showing that the low-lying electronic states of HCN2+ exhibit Renner-Teller and vibronic interactions. The double ionisation spectra are dominated by C-N stretching excitations for all the electronic states investigated. Long-lived HCN2+ ions are observed and are believed to be in low vibrational levels of the X 3Σâ and/or 1Î and/or 1Σ+ electronic states; some have metastable lifetimes of about 25 ns. The formation of H+ + CN+ products is attributed to predissociation by the lowest 3Aâ³ component resulting from a conical intersection between the X 3Σâ and 3Î states. The overall predissociation processes involve vibronic, Renner-Teller and spin-orbit couplings between several electronic states of HCN2+.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics - Volume 309, Issues 2â3, 14 March 2005, Pages 291-301
Journal: Chemical Physics - Volume 309, Issues 2â3, 14 March 2005, Pages 291-301
نویسندگان
M. Hochlaf, A. Pilcher-Clayton, J.H.D. Eland,