کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1193982 | 1492364 | 2008 | 9 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Computational and experimental exploration of the gas-phase chemistry of alkyloxalate ions ROCOCOOâ (RÂ =Â H, CH3, C2H5, i-C3H7, and t-C4H9)
دانلود مقاله + سفارش ترجمه
دانلود مقاله ISI انگلیسی
رایگان برای ایرانیان
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آنالیزی یا شیمی تجزیه
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Computational and experimental exploration of the gas-phase chemistry of alkyloxalate ions ROCOCOOâ (RÂ =Â H, CH3, C2H5, i-C3H7, and t-C4H9) Computational and experimental exploration of the gas-phase chemistry of alkyloxalate ions ROCOCOOâ (RÂ =Â H, CH3, C2H5, i-C3H7, and t-C4H9)](/preview/png/1193982.png)
چکیده انگلیسی
Alkyloxalate ions ROCOCOOâ (RÂ =Â H, CH3, C2H5, i-C3H7, and t-C4H9) are investigated by experiment and theory. Computational studies at the MP2/6-311++G(3df,3pd)//MP2/6-311++G(d) level of theory show that the structures vary with changing the size of the alkyl substituent R. Metastable ion and collisional activation mass spectra reveal three decomposition pathways of alkyloxalate ions corresponding to losses of CO and CO2 as well as a combined expulsion of CO and CO2. Decarbonylation dominates the spectra by far and leads to the corresponding alkylcarbonate ions ROCOOâ. Two mechanisms are envisaged to understand this dissociation, and calculations suggest that the reaction proceeds through the formation of an intermediate ion-neutral complex.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: International Journal of Mass Spectrometry - Volume 269, Issues 1â2, 1 January 2008, Pages 62-70
Journal: International Journal of Mass Spectrometry - Volume 269, Issues 1â2, 1 January 2008, Pages 62-70
نویسندگان
Héloïse Soldi-Lose, Detlef Schröder, Helmut Schwarz,