As a widely applied theory that has found success across many fields, density functional theory (DFT) is largely taught. Typically, the most effective way to convey DFT concepts is through illustrative examples that are currently lacking in available resources. In this work, we demonstrate total energy calculations for H[subscript 2] using…

A convenient approach to obtain Lewis structures for compounds of the type YX[subscript n] involves first constructing a trial structure that satisfies the valence of the outer atoms (e.g.,1 bond for fluorine, 2 bonds for oxygen, and 3 bonds for nitrogen)and placing the molecular charge (if any) on the central atom. The second step involves…

The ability to reason with representations is pivotal for successful learning in Organic Chemistry and is closely linked to representational competence. Given the visual nature of this discipline, this comprises competency in extracting and processing relevant visual information. With regard to the resonance concept, proficiency in identifying…

Water is one of the most common molecules in the universe. Water is polarized, but it has many states besides the normal tetrahedron depicted in standard biology texts. Water is also the most ubiquitous molecule on Earth, the universal solvent. It is the internal and external habitat of cells. Ecologically, water is contiguous with life and the…

Education in organic chemistry is highly reliant on molecular representations. Students abstract information from representations to make sense of submicroscopic interactions. This study investigates relationships between differing representations: bond-line structures, ball-and-stick, or electrostatic potential maps (EPMs), and predicting partial…

Valence shell electron pair repulsion theory (VSEPR) as explained in most textbooks predicts that substituents bonded to a central atom in AX[subscript n]E[subscript z][superscript c] species (A = main-group central atom, X = substituent, E = lone pair on central atom, c = charge) will change their X-A-X angles to bend away from the lone pairs.…

Auxiliary Tanabe-Sugano diagrams are presented. They enable a rapid and reliable graphical derivation of Dq/B and C/B crystal field parameter ratios from spectroscopic data. Using these values, one can calculate Dq and B by employing the original Tanabe-Sugano diagrams. Subsequently, C can also be calculated irrespective of the value C/B fixed in…

The ability to extract structural information from a drawing of a molecule is key to being successful in organic chemistry. One source of difficulty for novices in interpreting structures is that hydrogens bound to carbon are represented implicitly in the often-used line-angle structures. Other representations that explicitly show hydrogens, such…

Understanding molecular structure is fundamental in chemistry education. However, commercially available molecular model kits are often expensive and are not always present in educational institutions. Here we present "ChemBotCap," an innovative, low-cost, and engaging alternative for modeling simple inorganic and organic molecules using…

Understanding the structure and function of proteins is crucial for students as it provides fundamental insights into one of the central building blocks of life. Yet, undergraduate students struggle to make sense of proteins and apply knowledge about why structure affects function. Here, we expand on an existing typology of common protein…

A new teaching resource comprised of raw X-ray diffraction data sets from crystallography experiments has been compiled. The aim of this resource is to provide a tool with which to plug the teaching gap between crystals and chemical structures present at various levels of education, as well as providing examples for early stage researchers and…

Approximations can help to orient the student in an organic chemistry laboratory. There the student needs to develop the solvent systems for the reaction and isolation of organic reactants and products. The adage "like dissolves like" helps in this regard, but this approach is vague and entirely qualitative. More quantitative approaches…

Climate change is a critical scientific and social issue of our time, yet the topic is not frequently discussed by the general public. Additionally, misconceptions about the topic persist. One important aspect of climate change is the greenhouse effect. This activity adds a greenhouse gas discussion to an existing module about molecular shape and…

Biochemistry students at the introductory level easily comprehend the importance of energy-yielding oxidation and reduction biochemical processes, but nevertheless, they fight with words "oxidation" and "reduction" (and with the corresponding adjectives, "oxidized" and "reduced") applied in biochemistry…

When structure-property relationships are discussed in inorganic chemistry and materials science, the common perception is that materials with the same composition and atomic arrangement have the same properties. In this laboratory experiment, we show that "processing"--the exact conditions under which materials are made--can in fact…