The NMR spectrometer is a commonly used spectroscopic instrument that records resonance frequencies of nuclei present in molecular systems. While the NMR frequencies fall within the radio frequency regime for a given molecular system, they are presented in terms of chemical shifts in the audio frequency regime, thereby having the versatility to be…

Infrared spectroscopy (IR) is a staple structural elucidation and characterization technique because of its ability to identify functional groups and its ease of use. Interestingly, it allows the capture of electronic effects via their influence on the bond strength of "probes", such as the carbonyl group and also offers a wealth of…

A systems thinking approach to incorporating green chemistry and safety into laboratory culture is vital, as chemists will be at the molecular level of the innovative solutions to our global challenges. Training chemists to have the skills and culture to accomplish this feat in the safest way possible is pivotal to safe working conditions within…

Thomas Graham discovered the law that bears his name while studying gas diffusion into air and other gases. He also found that the same relationship held with gas effusion, the movement of gases through a pinhole into a vacuum. Modern understanding of diffusion and effusion is based on kinetic-molecular theory, and it is generally accepted that…

Nanoscience and technology research offer exciting avenues to modernize undergraduate-level General Chemistry curricula. In particular, spherical nucleic acid (SNA) nanoconjugates, which behave as "programmable atom equivalents" (PAEs) in the context of colloidal crystals, are one system that one can use to reinforce foundational…

Gaussian-2-Blender is an open-source application programming interface (API) written in Python that allows for the conversion of Gaussian input files to 3D objects of different formats. This new tool was developed in response to the shortcomings of available programs to import Gaussian calculations into augmented reality (AR) or virtual reality…

Interactive molecular dynamics in virtual reality (IMD-VR) simulations provide a digital molecular playground for students as an alternative or complement to traditional molecular modeling kits or 2D illustrations. Previous IMD-VR studies have used molecular mechanics to enable simulations of macromolecules such as proteins and nanostructures for…

While chemistry exists in three dimensions, it is presented in two. This down-conversion results in a significant loss in information and often necessitates multiple images/figures to convey the complexity, intricacy, and beauty of a given structure. Currently, three-dimensional models are built to allow students to interact with molecules.…

In undergraduate chemistry curricula that include computational modeling, students may gain first-hand experience in both introductory and advanced applications of this technique. However, although students can be exposed to the predictive power of computational work, its capabilities are often limited to determining the intrinsic properties of…

This article highlights some of the challenges in explaining simple substituent effects on keto-enol equilibria, particularly to an undergraduate audience. Quantum-chemical calculations were performed to identify the role of intramolecular hydrogen bonding, inductive effects due to electron-withdrawing groups, and cross-conjugation on the…

An instructional approach is presented for teaching the mole concept to high school introductory-level chemistry classes. Extensions to the strategy are presented for more advanced classes. The strength of the approach is based upon discovery. Students discover the Avogadro number and the mole concept. The discovery is based upon calculations that…

Using three-dimensional models in chemistry is a common teaching practice aimed at elevating the level of understanding of abstract concepts. However, the experience of using chemical models is still quite passive in terms of students' input, requiring the students to utilize mainly visual, auditory, and some tactile information processing…

Curriculum-based undergraduate research experiences (CUREs) have been shown to increase student retention in STEM fields and are starting to become more widely adopted in chemistry curricula. Here we describe a 10-week CURE that is suitable for a second-semester organic chemistry laboratory course. Students synthesize small molecules and use…

Interconverting different molecular representations can be problematic for many organic chemistry students. This is certainly the case when converting Fischer projections into bond-line structures. When performing the conversion from a Fischer projection into an all-staggered bond-line structure, students are sometimes taught to draw the fully…

Dilute guarana´ ("Paullinia cupana") powder aqueous extract is a soft drink that contains three structurally related methylxanthines (MXs), caffeine (CF), theobromine (TB), and theophylline (TP); CF is present in a large excess. Literature data show that values of [lambda][subscript max] and [epsilon][subscript max] of these three MXs…