The molecular geometries of crown ether derivatives play an important role in capturing and transporting alkali metal

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The molecular geometries of crown ether derivatives play an important role in capturing and transporting alkali metal ions. K. Okano and co-workers (see K. Okano, H. Tsukube, and K. Hori, Tetrahedron, 2004, 60, 10877) studied stable conformations of 12-crown-O3N and its Li+ complex in aqueous and acetonitrile solutions. 

(a) Which three programs did the authors use in their study and what did each program calculate? 

(b) Which Li+ complex was found to be most stable in 

(i) Aqueous 

(ii) Acetonitrile solutions

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Inorganic Chemistry

ISBN: 9780198768128

7th Edition

Authors: Mark Weller, Tina Overton, Jonathan Rourke

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