Mechanistic Investigation of the Synthesis of Dianionic In-Derived Coordination Polymers.

The mechanism of formation of crystalline coordination polymers is as complex as the architectures themselves. In this Communication, we detail a three-tiered approach using density functional theory (DFT) analysis, synthesis, and Raman spectroscopy to study the formation of coordination polymers. Specifically, the previously reported coordination polymers YCM-22 and YCM-51 containing the [In(COR)X] (X = halogen) molecular building unit (MBU) were investigated.