کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5377244 | 1504335 | 2006 | 14 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
A matrix isolation and theoretical study of SiF4 dimers spectra
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
The absorption spectra of (SiF4)2 dimers were studied in argon, xenon and nitrogen matrices. The dimer νX,Y, νZ bands due to resonance dipole-dipole interaction between two SiF4 subunits were identified. The ab initio calculations of the structure, energies and vibrational frequencies for the different conformations of (SiF4)2 dimer were performed using the second-order Møller-Plesset perturbation theory. The model with the point dipole moments located on each of Si-F bonds has been developed. This model allows to calculate the dimers spectra at various orientation of SiF4 molecules. On transition from the gas to low temperature matrix the symmetry of (SiF4)2 dimer changes from C2h to D2d, and RSi-Si distance decreases by 0.3 Ã
.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics - Volume 324, Issues 2â3, 31 May 2006, Pages 753-766
Journal: Chemical Physics - Volume 324, Issues 2â3, 31 May 2006, Pages 753-766
نویسندگان
S.K. Ignatov, T.D. Kolomiitsova, Z. Mielke, A.G. Razuvaev, D.N. Shchepkin, K.G. Tokhadze,