Crystal structure, IR investigation and interpretation of interactions in cobalt selenate pentahydrate

Abstract

It is used the Hirshfeld surface (HS) analysis to discuss the strength of the interactions in the cobalt selenate pentahydrate. The HS analysis is required to predict the properties of an ionic crystal. This analysis becomes a valuable tool for the quantitative clarification of the crystal structure and it is necessary for the choice of crystal application. The HS and its fingerprint plots were used. Almost 69.4% of the total HS was related to O⋯H/H⋯O interactions. The calculated enrichment ratios analysis showed that the most favored contacts (expressed by Er value of 2.51) are O⋯Co, followed by Se⋯O (Er = 2.35). It was found that the structure was stabilized by complex (Co⋯(OH 2 )) and hydrogen bonds (H⋯O–H). The infrared spectra of cobalt selenate pentahydrate are presented and discussed.