کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1194748 1492384 2006 11 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Investigations of the clustering reactions of protonated amino acid esters by high pressure mass spectrometry and quantum chemical calculations
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آنالیزی یا شیمی تجزیه
پیش نمایش صفحه اول مقاله
Investigations of the clustering reactions of protonated amino acid esters by high pressure mass spectrometry and quantum chemical calculations
چکیده انگلیسی
The equilibria involved in the formation of the proton-bound dimers of the three simplest amino acid methyl esters (glycine, alanine and valine methyl esters) were characterized by means of pulsed ionization high pressure mass spectrometry (PHPMS) experiments and density functional theory (DFT) calculations. Our results would indicate that, within the temperature range employed in these experiments, the most stable proton-bound dimer conformers are formed in the case of glycine and alanine whereas a more entropically favoured isomer would dominate in the case of valine. Various possible isomers of each of the proton-bound dimer species have been investigated computationally each exhibiting a combination of inter- and intramolecular hydrogen bonding. A system of nomenclature for these various species is proposed. The possibility of structures exhibiting 'salt-bridge' interactions have also been explored, recognizing that such structures would necessarily result from highly energetic structural rearrangements.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: International Journal of Mass Spectrometry - Volumes 255–256, 1 September 2006, Pages 301-311
نویسندگان
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