کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
443609 | 692739 | 2009 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Effect of aqueous environment in chemical reactivity of monolignols. A New Fukui Function Study
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Effect of aqueous environment in chemical reactivity of monolignols. A New Fukui Function Study Effect of aqueous environment in chemical reactivity of monolignols. A New Fukui Function Study](/preview/png/443609.png)
چکیده انگلیسی
The free radical reactivity of monolignols can be explained in terms of the Fukui function and the local hard and soft acids and bases (HSAB) principle to determine the potential linkages among them for reactions involving free radicals. Our results in gas-phase and aqueous environment elucidate the most probable free radical resonance structures in monolignols. Their reactivity toward nucleophilic or electrophilic species was described applying the Fukui function after a second analysis of the selected resonance structures. Methodology herein described could differentiate the inherent nature of one radical from another.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Graphics and Modelling - Volume 28, Issue 2, September 2009, Pages 196–201
Journal: Journal of Molecular Graphics and Modelling - Volume 28, Issue 2, September 2009, Pages 196–201
نویسندگان
Carmen Martínez, Miriam Sedano, Jorge Mendoza, Rafael Herrera, Jose G. Rutiaga, Pablo Lopez,