کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5380487 1504892 2014 10 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Proton affinity and molecular basicity of m- and p-substituted benzamides in gas phase and in solution: A theoretical study
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Proton affinity and molecular basicity of m- and p-substituted benzamides in gas phase and in solution: A theoretical study
چکیده انگلیسی
Proton affinities (PAs) and basicities (GBs) of substituted benzamides in gas phase and in solution have been calculated at the DFT/B3LYP level with a 6-311++G(2df,2p)//6-311+G(d,p) basis set. Results reveal that benzamides behave as oxygen base. Gas phase PAs and GBs show a good agreement with the available experimental data with an excellent linear relationships with R ∼ 0.98.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics Letters - Volumes 610–611, 28 August 2014, Pages 321-330
نویسندگان
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