Affiliation:
1. Department of Chemistry, Andong National University, Andong 36729, Republic of Korea
2. Department of Chemistry, Tokyo University of Science, Tokyo 162-8601, Japan
Abstract
The presence of various functional groups present in Ag[Cr(1,3-pdta)]·3H2O (1,3-pdta = 1,3-propanediaminetetraacetate) was confirmed
by FT-IR spectral results. The electronic spectral properties and magnetic behaviours were also described. The results of our calculations
yielded the crystal field splitting and Racah parameters of Dq = 1969 cm-1, B = 594 cm-1 and C = 3250 cm-1. Hirshfeld surface analysis by
three-dimensional (3D) molecular surface contours and two-dimensional (2D) fingerprint plots were performed to visualize, explore and
quantify the intermolecular interactions in the crystal lattice. Hirshfeld surface contours and 2D fingerprint maps revealed that the crystal
packing is dominated by H···O/O···H and H···H contacts. The strong hydrogen-bonding interactions are linked with O–H···O consisting the
highest fraction of 63.4% followed by these of the H···H type contributing 25.5%. Other very weak contacts of Ag···O/O···Ag, C···H/H···C,
O···O, Ag···H/H···Ag and O···C/C···O are present in the title compound.
Publisher
Asian Journal of Chemistry