Theoretical investigation into the coordination of R-/S-asymmetric uranyl-salophens containing six-membered ring lactam with cis-/trans-cyclohexylamines
This work was supported by the National Natural Science Foundation of China (no. 11275090 to C. M. Nie) and the Hunan Provincial Innovation Foundation for Postgraduate (grant no. CX2016B439).
机构署名：
本校为第一且通讯机构
院系归属：
化学化工学院
摘要：
A six‐membered ring lactam derivative was introduced in a parallel manner into uranyl–salophens with R/S configuration (R‐/S‐AUSRLs), which were used as receptors to coordinate with guests of cis−/trans‐methylcyclohexylamines (cis−/trans‐MCHAs). Using density functional theory calculations at the B3LYP/6‐311G** level and RECP, an insight into the coordination complexes of the R‐/S‐AUSRLs with cis−/trans‐MCHAs was obtained. The results showed that the U atoms of receptors could coordinate with the N atoms of four kinds of cis−/tran...
