Structural Investigation of Schiff Base Ligand and Dinuclear Copper Complex: Synthesis, Crystal Structure, Computational, and Latent Fingerprint Analysis The structural studies of the fluorinated Schiff base ligand and its copper complex were synthesized and characterized by Fourier transform infrared, UV-visible, and photoluminescence spectroscopy. Single-crystal X-ray diffraction analysis unveils a dinuclear copper complex arising from double bridging acetate anions to copper ions that are chelated by the tridentate Schiff base ligand Cu(LS). The trigonality index τ5 of 0.080 indicates a distorted square pyramidal coordination geometry for the metal. The SL ligand and complex exhibit intra- and intermolecular interactions, leading to unique supramolecular architectures. The structural changes between the free halogenated Schiff base ligand and upon coordination with the metal were extensively studied by experimental and theoretical approaches. The intra- and intermolecular interactions have been analyzed by Hirshfeld surface and quantum theory of atoms in molecules analysis, and the enrichment ratio highlights the most favored interactions in the formation of molecular packing. The chemical and physical properties, such as the HOMO – LUMO energy gap, chemical reactivity, and electron density topology, are studied using density functional theory studies. In addition, the Schiff base ligand compound is used to study the latent fingerprint analysis.

Structural Investigation of Schiff Base Ligand and Dinuclear Copper Complex: Synthesis, Crystal Structure, Computational, and Latent Fingerprint Analysis | ACS Omega pubs.acs.org/doi/10.1021/...

Conversion of Cyclic Ribose to Acyclic Ribose under Prebiotic Conditions: Implications for Ribose Selection as the RNA Sugar The RNA World hypothesis depicts the abiotic formation of RNA as the key milestone for the origin of life. However, the basis for the selection of ribose as the RNA sugar from the prebiotic context has not been explored in great detail. Leveraging on the classical organic chemistry knowledge that the acyclic form is the most reactive form of the sugar, we hypothesize that acyclic formation under prebiotic conditions is one of the primary pathways that led to the selection of ribose as the RNA sugar. As credible proof for our hypothesis, we identified prebiotically plausible catalysts [Bentonite/CaCO3/Mg(OH)2] and conditions to achieve the acyclic form in ribose compared to several other pentoses and hexoses. In this paper, evidence for the preferential formation of the acyclic form in ribose among the pool of sugars under prebiotic conditions is revealed. The results reported in this work suggest that the ability of ribose to exist in the acyclic form is unique among the pentoses and hexoses, which could have led to its selection as the RNA sugar.

Conversion of Cyclic Ribose to Acyclic Ribose under Prebiotic Conditions: Implications for Ribose Selection as the RNA Sugar | ACS Earth and Space Chemistry pubs.acs.org/doi/10.1021/...

Geochemical Settings at an Alkaline Hydrothermal Vent Stabilized Ribose: Evidence from Chemical Garden and Other Simulation Experiments | ACS Earth and Space Chemistry pubs.acs.org/doi/full/10....