کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5416189 | 1393803 | 2006 | 17 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Algebraic local vibrational spectroscopic description of formaldehyde
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موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
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چکیده انگلیسی
The spectroscopic description of vibrational excitations of the molecule of formaldehyde is presented in the framework of a local model, where Morse potentials are associated with the stretching and bending modes, while a Pöschl-Teller potential is considered for the out-of-plane mode. An effective Hamiltonian in constructed in terms of tensorial couplings among basic operator units associated with the fundamentals. This approach is equivalent to take a linear approximation for the expansion of the coordinates and momenta in terms of creation and annihilation operators of the Morse (Pöschl-Teller) potential. Most of Darling-Dennison and Fermi-like interactions consistent with the preservation of the polyad are taken into account. These interactions, together with the anharmonic contributions provides a total of 43 interactions, which were considered to carried out a fit of 260 energy states, obtaining an rms deviation of 2.39Â cmâ1.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Spectroscopy - Volume 235, Issue 2, February 2006, Pages 218-234
Journal: Journal of Molecular Spectroscopy - Volume 235, Issue 2, February 2006, Pages 218-234
نویسندگان
R. Bernal, R. Lemus,