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…

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…

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…

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…

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,…

The flue gas from waste incineration power plants contains high-level zinc species that may deactivate the catalyst for selective catalytic reduction (SCR) of nitrogen oxides (NO[subscript x]) with NH[subscript 3]. A comparison experiment was designed to investigate the effect of different types and Zn/Ce molar ratios on the performance of…

An ICP-MS simulation was developed to support the teaching of inductively coupled plasma-mass spectrometry. The app enables students to conduct the quantification of selenium in a nutritional supplement, monitor the uptake of metallodrugs by cells, and perform qualitative analysis of gunshot residue. The experiments teach a range of analytical…

As an alternative to the traditional metallocene laboratory targets, students synthesize Cp[subscript 2]TiCl[subscript 2], bis([eta][superscript 5]-cyclopentadienyl)dichloridotitanium(IV), from the mildly moisture-sensitive cis-TiCl[subscript 4](thf)[subscript 2]. Air-free handling techniques are emphasized, but the (mostly) air-stable,…

An integrated laboratory experience using metal--organic frameworks (MOFs), a nanoporous and crystalline extended solid material composed of metal cations and organic linkers, was developed and adopted for upper-division, major-level chemistry and biochemistry students. In this laboratory, students were guided through the facile solvothermal…

This laboratory exercise integrates chemistry and biology concepts to give third/fourth-year undergraduate students an opportunity to apply knowledge from different subject areas to address a real-world biomedical issue such as pathogen inhibition using composite materials. It involves the preparation of a bacteria-derived cellulosic biopolymer…

A straightforward procedure for the synthesis of (Ph[subscript 3]P)[subscript 3]CuCF[subscript 3], a robust, air-stable trifluoromethylating agent, is reported herein. This preparation can be completed in a single 3 h laboratory session and typically provides ample yields (~79--86%) and high purity (>90%). The target complex is characterized by…