Hybridization makes the difference: [2Oxa.2Oxa.2Oxa] a sp2-Carbon dominated Lehn-type cryptand - Prediction of ion selectivity by quantum chemical calculations. XVIII
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DOI: 10.1080/00958972.2024.2367223
Abstract: Abstract Substituting the O-C2H4-O-moiety of [2.2.2] by the O2CCO2-core of oxalic acid leads to the new Lehn-type cryptand [M ⊂ 2Oxa.2Oxa.2Oxa]m+. We explored by quantum chemical methods (B3LYP/LANL2DZp) the complexation behaviour and compared it with… read more here.
Keywords: ion selectivity; type cryptand; lehn type; 2oxa 2oxa ... See more keywords