کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1808417 | 1525164 | 2016 | 7 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Maximum hardness and minimum polarizability principles through lattice energies of ionic compounds
ترجمه فارسی عنوان
حداکثر سختی و حداقل اصول قطبش پذیری از طریق انرژی های شبکه ای ترکیبات یونی
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کلمات کلیدی
حداکثر اصل سختی، حداقل الگوریتم پلاریزایی، انرژی مشبک، ترکیبات یونی
موضوعات مرتبط
مهندسی و علوم پایه
فیزیک و نجوم
فیزیک ماده چگال
چکیده انگلیسی
The maximum hardness (MHP) and minimum polarizability (MPP) principles have been analyzed using the relationship among the lattice energies of ionic compounds with their electronegativities, chemical hardnesses and electrophilicities. Lattice energy, electronegativity, chemical hardness and electrophilicity values of ionic compounds considered in the present study have been calculated using new equations derived by some of the authors in recent years. For 4 simple reactions, the changes of the hardness (Îη), polarizability (Îα) and electrophilicity index (ÎÏ) were calculated. It is shown that the maximum hardness principle is obeyed by all chemical reactions but minimum polarizability principles and minimum electrophilicity principle are not valid for all reactions. We also proposed simple methods to compute the percentage of ionic characters and inter nuclear distances of ionic compounds. Comparative studies with experimental sets of data reveal that the proposed methods of computation of the percentage of ionic characters and inter nuclear distances of ionic compounds are valid.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica B: Condensed Matter - Volume 485, 15 March 2016, Pages 60-66
Journal: Physica B: Condensed Matter - Volume 485, 15 March 2016, Pages 60-66
نویسندگان
SavaÅ Kaya, Cemal Kaya, Nazmul Islam,