A faculty member in the Department of Chemistry publishes a scientific paper in the Journal of Molecular Structure

Byإعلام كلية التربية للعلوم الصرفة جامعة سامراء Reading Time: 1 minute

 

Dr. Osama Ahmed Yassin, a lecturer in the Department of Chemistry at the College of Education for Pure Sciences – University of Samarra, has published a scientific research paper in the Journal of Molecular Structure, which is issued by the global publishing company Elsevier and ranked within the first quartile (Q1) in Scopus databases.

The research is titled:
“Unexpected formation of a polymeric mercury (II) complex via ligand substitution: Synthesis and structural study of [Hg(2-MBO)₂]ₙ”.

The study aimed to investigate an unexpected phenomenon in coordination chemistry by synthesizing and characterizing a new polymeric complex of mercury(II), [Hg(2-MBO)₂]ₙ, through a mixed-ligand complex. A spontaneous ligand substitution occurred, leading to the formation of a homogeneous polymeric structure.

The results showed that mercury adopts a “distorted tetrahedral” geometry within a two-dimensional polymeric network. The study also employed Density Functional Theory (DFT) through frontier molecular orbital analysis (HOMO and LUMO).

Furthermore, the findings revealed that the compound exhibits semiconductor properties with an energy gap of 2.8 eV. X-ray crystallography and Hirshfeld surface analysis were used to understand intermolecular interactions and crystal stability, along with void analysis, which helped explain the cohesion and packing of the crystal lattice, thereby enhancing the mechanical properties of the synthesized compound.
رابط البحث
https://www.sciencedirect.com/science/article/abs/pii/S0022286026007659
https://scholar.google.com/citations?hl=ar&user=YQsSjIMAAAAJ&view_op=list_works

https://www.researchgate.net/profile/Osamaa-Al-Samrai
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