Computational evidence of preferred ener
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Sadegh Salehzadeh; Mehdi Bayat
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Article
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2011
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Elsevier
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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