کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
4769531 | 1426203 | 2017 | 41 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
On Lewis acidity/basicity and hydrogen bonding in the equation-of-state approach
ترجمه فارسی عنوان
در اسیدیته لوئیس / پایه و پیوند هیدروژن در روش معادله حالت
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موضوعات مرتبط
مهندسی و علوم پایه
مهندسی شیمی
مهندسی شیمی (عمومی)
چکیده انگلیسی
The central objective of this work is to revisit the development of the widely used Lewis acidity/basicity scales and seek possibilities for their eventual unification. The primary focus is on hydrogen bonding interactions which are dealt with the estimation of hydrogen-bond-donor (HBD) and hydrogen-bond-acceptor (HBA) capacity of the compounds. The developments are made by having in mind their implementation in a thermodynamic equation-of-state framework for the reliable estimation of all basic thermodynamic quantities of compounds over a broad range of external conditions. Gutmann's donor and acceptor numbers, the Hard-Soft Acid and Base principle, Drago's electrostatic and covalent interaction parameters E and C, the LFER/LSER acidity and basicity, α and β (A and B), parameters, the Hansen partial hydrogen - bonding solubility parameters and Klamt's quantum-chemically derived hydrogen - bonding cosmoments are all combined with the recent partial solvation parameter (PSP) approach in an effort to develop a unified hydrogen bonding scale. The challenges and the perspectives of this unification are critically discussed.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: The Journal of Chemical Thermodynamics - Volume 110, July 2017, Pages 3-15
Journal: The Journal of Chemical Thermodynamics - Volume 110, July 2017, Pages 3-15
نویسندگان
C. Panayiotou, S. Mastrogeorgopoulos, V. Hatzimanikatis,