DFT Study of the [Cu-Angiotensin II]²⁺Complex Structure

Silver(I) coordination polymers assembled from flexible cyclotriphosphazene ligand: structures, topologies and investigation of the counteranion effects

“…Over the past two decades, coordination polymers have attracted a great deal of attention from researchers due to their intriguing variety of structures (Zhang et al, 2012;Khlobystov et al, 2001;Robin & Fromm, 2006), topologies (Batten et al, 2009;Hong & Chen, 2009) and promising applications in materials science (You et al, 2014;Beobide et al, 2006;Wang et al, 2014;Cui et al, 2012;Suh et al, 2012;Sumida et al, 2012) such as luminescence, magnetism, catalysis and gas storage. Despite remarkable progress on theoretical approaches in the structural prediction of transition metal complexes (Minenkov et al, 2012;Zhang et al, 2008;Berces, 1997;Kim & Kim, 2012), predicting the structure of coordination polymers remains one of the most challenging issues in coordination chemistry caused by various factors such as ISSN 2052-5206 # 2016 International Union of Crystallography ligand type (Mu et al, 2012), M/L ratio (Guo et al, 2013), metal centers (Masu et al, 2006), counterions (Wang et al, 2009), solvents (Li & Du, 2011), pH (Yu et al, 2009) and temperature (Forster et al, 2004). Among these factors, the choice of ligand, metal center and counterion plays a crucial role in the formation of coordination polymers.…”