کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5391270 1505173 2006 7 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
An isodesmic reaction based approach to aromaticity of a large spectrum of molecules
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
An isodesmic reaction based approach to aromaticity of a large spectrum of molecules
چکیده انگلیسی
A new thermodynamic scale of aromaticity is devised for a large spectrum of organic molecules using isodesmic reactions. The present scale named Earoma quantifies aromaticity as the average stabilization of a conjugated bond in a cyclic/extended cyclic conjugated system as compared to a matching linear conjugated one. The Earoma values showed good agreement with the HOMA, NICS0, NICS1, MESP, and ASE indices of aromaticity. Earoma scale offers an easy way to compare the aromaticity of molecules in different categories to that of benzene.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics Letters - Volume 419, Issues 4–6, 26 February 2006, Pages 550-556
نویسندگان
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