Isotope effects are widely used in infrared analyses of a range of chemical systems. Water molecules with three active modes are one of the most studied for testing the applicability of theoretical models. Whereas the IR spectrum of free gaseous water is very complex due to the accompanying rotational spectral features, the ATR-FTIR spectrum of a…

A frequent challenge that graduate and undergraduate students in chemistry, biology, and pharmacy laboratories face is accurately assigning proton and carbon peaks in the 1D and 2D Nuclear Magnetic Resonance (NMR) spectra of organic and pharmaceutical molecules. We propose a consistent, step-by-step approach to effectively assist students in…

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…

A laboratory experiment has been designed for teaching laboratories aimed at training students in the basics of spectroscopy in junior and senior level undergraduate chemistry courses. Despite the ubiquity of light-based tools in modern science, students often find it difficult to comprehend light and light-matter interactions. A portable…

We present example assessments featuring spectroscopic unknown puzzles, where the solution to the puzzle is the outcome of a known chemical reaction. These spectroscopic exercises engage students in a substantially more authentic manner than the conventional structure elucidation puzzles that are ubiquitous in organic chemistry instruction.…

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 self-association of caffeine in solution, driven by the hydrophobic effect, is a simple example of molecular aggregation. It obeys an isodesmic association model in which each successive binding occurs with the same equilibrium constant. Here, we describe an activity for chemistry students that explores this phenomenon using nuclear magnetic…

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,…

Raman spectroscopy, a powerful vibrational spectroscopic technique widely used in chemistry, materials science, and environmental analysis, provides critical molecular insights through spectral fingerprints. However, undergraduate students often lack proficiency in optimizing experimental parameters, interpreting vibrational modes, and applying…

Experiments that explore quantum principles while utilizing and reinforcing previous synthesis skills are excellent for engaging students and promoting the interconnected nature of chemistry. This experiment utilizes sophomore-level organic synthesis techniques to have students produce their own "meso" substituted porphyrins. The UV-vis…

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…

An integrated laboratory experience in X-ray photoelectron spectroscopy (XPS) is designed for undergraduate and graduate students in chemistry, materials science, and other related fields. Focusing on ubiquitous Si, Cu, and their common oxides, students are guided to characterize a series of standard materials by XPS to understand the fundamentals…

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…

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…