VibHam is an adaptable and user-friendly program designed for advanced diatomic molecule spectroscopy beyond the harmonic oscillator approximation. It employs numerical solutions to the rovibrational Schrödinger equation, accurately reproducing spectroscopic constants and offering insights into rovibrational wave functions, energy levels, and…

Vibrational fine structure observed in the published He-I UV photoelectron spectra of H[subscript 2] and N[subscript 2] molecules recorded at room temperature and under microwave excitation or at 700 °C have been reexamined and compared with calculations of the Franck-Condon factors (FCFs) using simple harmonic oscillator wave functions and/or…

The dissolution of cobalt­(II) chloride in an appropriate binary alcohol solvent yields an equilibrium mixture, consisting of the differently colored octahedral (pink in color) and tetrahedral (blue in color) cobalt­(II) coordination complexes, which can exhibit a brilliant and reversible pink-to-blue color transition over a ~10 °C window - i.e.,…

Student engagement in evidence-based argumentation plays a central role in science education. These skills can be developed when identifying organic molecules from the spectroscopic data. Molecular structural analysis fosters deep procedural knowledge, as it involves (i) flexibly applying a set of procedures to extract information from spectra,…

This study applied the functional near-infrared spectroscopy (fNIRS) to investigate frontal activity in autism when performing verbal fluency test and emotion recall task. We recruited 32 autistic adults without intellectual disability and 30 typically-developing controls (TDC). Prefrontal hemodynamic changes were evaluated by fNIRS when the…

This research paper aims to propose a novel didactic sequence inspired by an historical/epistemological study of the evolution of spectroscopy and in particular of colorimetry. The working principles of the historical color comparators and the visual color matching method, first proposed by Duboscq, stimulated us in the development of a five-step…

Machine learning (ML) is extensively applied in chemistry, particularly in vibrational spectroscopy. However, few teaching examples effectively demonstrate the capabilities of ML in classifying polymeric materials, exhibiting subtle spectral differences that elude visual discrimination. This study presents a teaching example specifically tailored…

The optical spectrometer is a widely established and widely used scientific instrument for analyzing biochemical samples. However, it is expensive, bulky, and requires an external power source and a computer to operate, which makes it difficult to use in resource-limited countries and in remote locations. Advancement in smartphone technology has…

An organic chemistry experiment designed for senior undergraduates focuses on bifunctional catalysis, a critical yet often omitted topic at the undergraduate level, but essential for advanced studies in chemistry. By utilization of a tertiary amine-thiourea catalyst in the asymmetric Michael addition reaction, the experiment showcases the…

Synthesis of (Z)-alkenes is challenging because the (E) stereoisomers are usually more stable. Energy transfer photocatalysis has emerged as an efficient strategy for (E) [right arrow] (Z) alkene isomerization. We report the development of an advanced undergraduate laboratory experiment that introduces students to contemporary organic…

Spectroscopic methods of molecular structure identification and analysis constitute part of inorganic, organic, analytical, and physical chemistry in both undergraduate and postgraduate chemistry curricula. Despite the importance and complexity of the relevant concepts, it is only recently that studies on spectroscopy have started to appear in the…

In this second-semester organic chemistry lab experiment, students work collaboratively using a combination of chemical synthesis and NMR spectroscopy to investigate the diastereoselectivity associated with the Meerwein-Ponndorf-Verley (MPV) reduction of two ketone substrates having carbonyl groups flanked by an [alpha]-chiral carbon with…

Infrared (IR) spectra of biologically derived materials display distinct absorption bands correlating to individual macromolecules: protein, polysaccharide, lipid, and nucleic acids. A series of experiments aimed at teaching qualitative bioorganic spectroscopy using attenuated total reflectance (ATR) Fourier transform infrared (IR) with biological…

Background: Previous research suggests that children with or at risk of probable developmental coordination disorder (pDCD) activate different areas of the brain when performing certain motor skills compared with typically developing (TD) children. This study used functional near-infrared spectroscopy to compare prefrontal cortex (PFC) activity in…

Experimentation is a contributing factor to the interest and meaningful learning of Science. In Geology and Earth Science, the effects of soil textures, settlements, and water-holding capacity are parameters for landslides in Barotac Viejo and other flooded areas. Landslides are triggered during heavy rainstorms, causing severe property damage and…