کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
9591504 1507003 2005 17 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Quantum chemical studies on some potentially tautomeric oxazolidin-4-one derivatives and their thio and azo anologs
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Quantum chemical studies on some potentially tautomeric oxazolidin-4-one derivatives and their thio and azo anologs
چکیده انگلیسی
The basicities and nucleophilicities along with prototautomerism of biologically active oxazolidin-4-one and its thio and azo analogs were investigated by semi-empirical methods. The oxo and thion protonation were found to be easier than that of azo protonation for 4-oxo and 4-thion derivatives whereas amino protonation was found to be easier than imino and azo protonation in 4-imino derivative. The preferred tautomeric form for 4-oxo and 4-thion derivatives were found to be the keto and thion forms, respectively, whereas the amino form was found to be preferred in 4-imino derivatives. An acceptable correlation between gas phase proton affinities and aqueous phase acidity constants as well as the correlation between nucleophilicity and acidity constants was observed.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 732, Issues 1–3, 1 November 2005, Pages 183-199
نویسندگان
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