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,…

Stereoselective reduction of ketones to alcohols using baker's yeast is a classic experiment in the undergraduate laboratory. Here we illustrate the reduction of racemic ethyl 2-fluoro-3-oxobutanoate to the corresponding alcohol using a set of four commercially available ketoreductases (KREDs). The reaction sets two stereocenters with four…

In this two-session experiment for an organic chemistry lab, students prepare a macrocyclic host compound--namely, a pillar[5]arene--by means of a templated 1,4-dimethoxybenzene/formaldehyde cyclo-oligomerization (session 1), and then, they explore its molecular recognition properties toward the 1,8-diaminooctane guest with the aid of [superscript…

High-resolution mass spectrometry (HRMS) is an analytical technique that is typically used by mass spectrometry experts. However, with recent advancements, it is becoming more accessible to students in organic chemistry laboratories. Still, a significant knowledge gap exists between these experts and students. A straightforward laboratory…

Benzoin, an [alpha]-hydroxy ketone, is stereoselectively reduced by sodium borohydride to yield hydrobenzoin, the stereochemistry of which is determined by acetalization and analysis of the derivative by NMR spectroscopy. This classical experiment has been enhanced by modern spectroscopic and computational analysis to enable students to…

Lakes are artists' pigments made from colorants bound to an inert substrate, usually hydrated aluminum oxide. Before the late 19th century, lakes were made from natural pigments extracted from plants and insects, extracted either directly from the dyestuff or indirectly from waste materials generated in the manufacture of dyed textiles. The first…

Electrophilic aromatic substitution reactions are common in the organic chemistry laboratory. These reactions, while ubiquitous, use corrosive reagents and halogenated or hydrophobic solvents that produce expensive and hazardous waste streams. The carboxylation of phenols (Kolbe-Schmitt reaction), although aqueous, typically involves conditions…

The particle-in-a-box experiment is a well-known method used to teach quantum mechanics concepts in physical chemistry laboratories for undergraduates. The investigation involves measuring the wavelength at maximum absorbance ([lambda subscript max]) of electronic transitions in the UV-vis spectrum and linking it to the box length. As the…

General spectroscopy is known to be difficult for novice students due to its complex and abstract nature. In this study we used a first-year chemistry Mini Spec laboratory activity to uncover language barriers to student learning in spectroscopy. Analysis revealed that language barriers generated conceptual difficulties for English as Second…

The carbonyl group of an aldehyde or ketone reacts with different types of nucleophiles through a nucleophilic addition reaction. When the nucleophile is water, the product obtained is a "gem"-diol or geminal diol. This functionalization is unstable and quickly reverts to the parent carbonyl group. The chemistry of "gem"-diols…

We describe a three-day advanced organic laboratory experience that includes the solid-phase synthesis of an unknown three amino acid polypeptide for junior/senior undergraduate chemistry majors. Students conduct a series of 1D and 2D NMR experiments (HSQC, HMBC, TOCSY) and analyze the data to identify the side chain residues of the peptide and…

Molecular imprinting technology holds significant potential for applications in chemical analysis and detection. In order to integrate the fundamental knowledge of polymer chemistry, electrochemistry, and analytical chemistry with practical applications and cutting-edge research, we proposed a comprehensive experiment of the preparation,…