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Cooperativity of chemical bonds or bonding interactions in metal complexes or inorganic triads

عنوان مقاله: Cooperativity of chemical bonds or bonding interactions in metal complexes or inorganic triads
شناسه ملی مقاله: IICC21_012
منتشر شده در بیست و یکمین سمینار شیمی معدنی انجمن شیمی ایران در سال 1398
مشخصات نویسندگان مقاله:

Sadegh Salehzadeh - Faculty of Chemistry, Bu-Ali Sina University, Hamedan, Iran

خلاصه مقاله:
Cooperativity of non-covalent interactions has been extensively reported in the literature [1]. Cooperativity occurs in the well-known example of ice, where the oxygen-oxygen separation is shortened to 2.76 Å compared to 2.98 Å in the water dimer [2]. Recently, we reported a new equation for calculating total interaction energy in one noncyclic ABC triad and also new insights into cooperativity of noncovalent bonds [3]. Our next studies confirmed the expectation that the above proposed equation can be used in calculating the total interaction energy in any acyclic ABC system, regardless the nature of bonds between A, B and C fragments [4]. Our results also clearly show that whenever the fragmentation of any system into three fragments is possible we can find whether there is a cooperativity or anticooperativity between the corresponding bonds.

صفحه اختصاصی مقاله و دریافت فایل کامل: https://civilica.com/doc/960600/