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A theoretical study on the formation of “1 + 1” versus “2 + 2” macrocyclic Schiff base complexes in the absence of coordinated anions

✍ Scribed by Sadegh Salehzadeh; Mehdi Bayat


Book ID
116379905
Publisher
Elsevier
Year
2011
Tongue
English
Weight
733 KB
Volume
971
Category
Article
ISSN
2210-271X

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✍ Sadegh Salehzadeh; Mehdi Bayat 📂 Article 📅 2011 🏛 Elsevier 🌐 English ⚖ 526 KB

This work reports a theoretical study on ''1 + 1'' versus ''2 + 2'' cyclocondensation reactions between 2,6diacetylpyridine and 3,6-dioxaoctane-l,8-diamine in the presence of Mg(II) and Pb(II) metal ions. The results of calculations at DFT(B3LYP) level of theory using LanL2DZ, SDD and CEP-121G basis