Spectroscopic Properties, Magnetic Behaviours and Hirshfeld Surface Analysis of Ag[Cr(1,3-pdta)]·3H2O

Sunghwan Jeon1, Shinnosuke Tanaka2, Takashiro Akitsu2, Keon Sang Ryo1 and Jong-Ha Choi1,*,

1Department of Chemistry, Andong National University, Andong 36729, Republic of Korea

2Department of Chemistry, Tokyo University of Science, Tokyo 162-8601, Japan

*Corresponding author: E-mail: jhchoi@anu.ac.kr

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.

Keywords

Chromium(III) complex, Electronic absorption spectroscopy, Magnetic properties, Hirshfeld surface analysis.

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