کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1410572 | 1501873 | 2008 | 10 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Isomers of various species of 1-hydroxy-2-pyridinone-6-carboxylic acid, their proton dissociation and complexes with Cr(III) and Zn(II)
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آلی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Isomers of various species of 1-hydroxy-2-pyridinone-6-carboxylic acid, their proton dissociation and complexes with Cr(III) and Zn(II) Isomers of various species of 1-hydroxy-2-pyridinone-6-carboxylic acid, their proton dissociation and complexes with Cr(III) and Zn(II)](/preview/png/1410572.png)
چکیده انگلیسی
Isomers of 1-hydroxy-2-pyridinone-6-carboxylic acid (6-carboxy-1,2-HOPO), their deprotonated species and complexes with chromium and zinc were theoretically investigated by density functional theory calculations. Free energy of activation, energetics, thermodynamic properties and equilibrium constants of interconversion reactions of their isomers were determined. Measured acid-dissociation constants of the 6-carboxy-1,2-HOPO obtained from potentiometric titration method were compared with the computed constants which were derived from the density functional theory method. Two isomers of each 6-carboxy-1,2-HOPO complexes with chromium and with zinc were found.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 891, Issues 1–3, 26 November 2008, Pages 1–10
Journal: Journal of Molecular Structure - Volume 891, Issues 1–3, 26 November 2008, Pages 1–10
نویسندگان
Khajadpai Thipyapong, Vithaya Ruangpornvisuti,