Host–guest complexes of mixed glycol-phenanthroline cryptands: prediction of ion selectivity by quantum chemical calculations IV

Host–Guest Complexes of Oligopyridine Cr

Host–Guest Complexes of Oligopyridine Cryptands: Prediction of Ion Selectivity by Quantum Chemical Calculations

✍ Ralph Puchta; Rudi van Eldik 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 205 KB

## Abstract The structures and complex‐formation energies for the cryptands 6,6′,6″,6″′,6″″,6″″′‐bis[nitrilotri(methylene)]tris(2,2′‐bipyridine) (**1**) and 2,2′,2″,9,9′,9″‐bis[nitrilotri(methylene)]tris(1,10‐phenanthroline) (**2**) with alkali and alkaline‐earth cations are obtained by PM3/SPASS a