کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1194741 | 1492384 | 2006 | 7 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Gas-phase ion chemistry of Si+ and NF3: An experimental and theoretical study
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آنالیزی یا شیمی تجزیه
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چکیده انگلیسی
The study of the gas-phase reactions of the Si+ ions with nitrogen trifluoride (NF3) was performed by quadrupole ion trap mass spectrometry and ab initio calculations. Experimental results display a thermodynamically favoured reaction cascade starting from the reactants corresponding to multiple fluorine abstraction, which ultimately yields neutral fluorosilane by fluoride abstraction. A parallel, slightly endothermic channel is observed starting from the reactants and generating the NF2+ and SiF products. The study of the potential energy hypersurface of the Si+(2P) + NF3 system evidenced the initial formation of the N-coordinated Si+-NF3 adduct. Subsequent rearrangements and atom migrations lead to the FSi+-NF2 isomer, whose dissociation yields SiF+ and NF2 as products. Theoretical energy profiles show that this pathway is strongly exothermic (about â100 kcal molâ1) and that the dissociation of the FSi+-NF2 species to the endothermic (+6 kcal molâ1) channel products (NF2+ and SiF) is extremely unlikely for ground-state reactants.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: International Journal of Mass Spectrometry - Volumes 255â256, 1 September 2006, Pages 225-231
Journal: International Journal of Mass Spectrometry - Volumes 255â256, 1 September 2006, Pages 225-231
نویسندگان
P. Antoniotti, L. Operti, R. Rabezzana, F. Turco, G.A. Vaglio,