Key research themes
1. How do intramolecular and intermolecular hydrogen bonding interactions influence the structural conformation and tautomerism in aromatic Schiff bases and related compounds?
This research theme investigates the role of hydrogen bonds—both within molecules (intramolecular) and between molecules (intermolecular)—in dictating molecular conformations, tautomeric forms, and crystal packing in Schiff bases and related aromatic compounds. Understanding these interactions is crucial for rationalizing stability, reactivity, and potential biological activities, as hydrogen bonding governs molecular arrangement, tautomeric shifts, and supramolecular architectures.
2. What structural features and intermolecular interactions govern the packing motifs and stability in heterocyclic aromatic compounds with pharmacological or catalytic relevance?
This theme focuses on the crystallographic characterization of heterocyclic aromatic compounds, many of which possess biological or catalytic properties, analyzing key intermolecular forces such as halogen bonding, π–π stacking, C-H...π interactions, and hydrogen bonding that dictate molecular packing and stability. Insights into spatial arrangement and interaction motifs facilitate the understanding of how molecular architecture impacts functional properties.
3. How can synthetic strategies coupled with structural elucidation via crystallography advance the design of biologically active heterocyclic scaffolds and related organic compounds?
This theme centers on the integrated approach of chemical synthesis and single-crystal X-ray diffraction to develop novel heterocyclic entities with biological relevance. Through detailed structural characterization, synthetic modifications influencing molecular conformation, tautomerism, and substituent orientation are related to potential pharmacological profiles and chemical reactivity, guiding rational design principles for medicinal chemistry and catalysis.