New insights from the relation between lattice energy and bond stretching force constant in simple ionic compounds

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• 作者：Savaş Kaya^a ; ^{savaskaya@cumhuriyet.edu.tr} ; Eduardo Chamorro^b ; Dimitar Petrov^c ; Cemal Kaya^a
• 关键词：Bond stretching force constant ; Lattice energy ; Chemical hardness ; Maximum Hardness Principle ; Minimum Polarizability Principle
• 刊名：Polyhedron
• 出版年：2017
• 出版时间：17 February 2017
• 年：2017
• 卷：123
• 期：Complete
• 页码：411-418
• 全文大小：633 K
• 卷排序：123

文摘

Lattice energy and bond stretching force constant are two quantities considered in many fields of chemistry and physics. Both quantities can be used to describe the stability or reactivity of a simple system. In the present study, by inspecting the correlation between lattice energies and bond stretching force constants for some sets of simple ionic molecules having similar bonding type, we present simple and useful equations to estimate the bond stretching force constants of simple ionic compounds. In order to determine lattice energies taken into account in this study, Born–Haber–Fajans (BHF) thermochemical cycle and lattice energy equations proposed by Jenkins and Kaya were used. It is shown that bond force constant of a simple ionic compound can be easily calculated in agreement with its spectroscopic counterpart through its lattice energy value. Percentage deviation values determined considering calculated and observed bond stretching force constants for the tested ionic compounds are pretty small except of some molecules like cesium halides (CsF, CsCl, CsBr). Such small values of percentage deviation probe the reliability and validity of the correlation between lattice energy and bond stretching force constant.