A cornerstone activity in undergraduate organic laboratories revolves around students running instrumental analysis on their products and interpreting their spectra. They are left to link the theory they have learned in lecture to practical spectral interpretation. Students often memorize benchmark interpretations of peaks, such as the broad…

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,…

Nuclear magnetic resonance (NMR) spectroscopy is a very powerful analytical method that has found many applications in physics, chemistry, biology, and medicine. It is an indispensable tool particularly for synthetic chemists because it can be used for a rapid elucidation of the structures of organic compounds. For this reason, NMR spectral…

Thermogravimetric analysis (TGA), Fourier transform infrared spectroscopy (FTIR), and computational chemistry are used in concert to evaluate the thermal decomposition of calcium acetate monohydrate, Ca(C[subscript 2]H[subscript 3]O[subscript 2])[subscript 2]·H[subscript 2]O, and to engage students in high-level thinking as they synthesize results…

Computational and atmospheric chemistry are two important branches of contemporary chemistry. With the present topical nature of climate change and global warming, it is more crucial than ever that students are aware of and exposed to atmospheric chemistry, with an emphasis on how modeling may aid in understanding how atmospherically relevant…

The use of symmetry is widespread in chemistry, as it is used for predictions of the number of allowed and forbidden absorptions in electronic, vibrational, and rotational spectroscopies; for predictions of the combination of atomic orbitals to produce molecular orbitals; and in many other chemical applications. One critical step in these…

During a short chemometrics course in the seventh semester of the chemistry undergraduate program, students receive a brief theoretical introduction to multivariate calibration, focused on partial least-squares regression as the most commonly employed data processing tool. The theory is complemented with the use of MVC1_R, an easy-to-use software…

Hydrogen bonds are very important chemical structures that are responsible for many unique and important properties of solvents, such as the solvation power of water. These distinctive features are directly related to the stabilization energy conferred by hydrogen bonds to the solvent. Thus, the characterization of hydrogen bond energetics has…

In this experiment, students carry out a modern organocatalytic reaction using IMes·HCl and NaOH to catalyze the formation of 1,3,4-triphenylcyclopentene from cinnamaldehyde and chalcone in water. Deprotonation of IMes·HCl with NaOH forms the "N"-heterocyclic carbene IMes that reacts with cinnamaldehyde to form a homoenolate equivalent…

A free program for the simulation of dynamic infrared (IR) spectra is presented. The program simulates the spectrum of two exchanging IR peaks based on simple input parameters. Larger systems can be simulated with minor modifications. The program is available as an executable program for PCs or can be run in MATLAB on any operating system. Source…

Modern microcontroller boards offer the analytical chemist a powerful and inexpensive means of interfacing computers and laboratory equipment. The availability of a host of educational materials, compatible sensors, and electromechanical devices make learning to implement microcontrollers fun and empowering. This article describes the advantages…

An in-depth understanding of all parameters that affect an instrumental analysis method, allowing students to explore how these instruments work so that they are not just a "black box," is key to being able to optimize the technique and obtain the best possible results. It is, however, impractical to provide such in depth coverage of…

Describes a laboratory experiment using AMPAC (a computer program) in conjunction with infrared spectroscopy. The experimental procedure and a list of questions for discussion are provided. Typical data are presented. (YP)

Describes a personalized method of instruction being used in junior-level physical chemistry classes which uses computer-aided instruction (CAI) and computer-managed instruction (CMI). Claims this results in more instructor-student interaction, better use of classroom time, and better scores on standardized examinations. (TW)

Contains seven articles about computer applications to chemistry instruction. Includes descriptions of a three-dimensional animation of a potential energy surface, numerical solutions of kinetic equations, applications for spectroscopy courses, a computer-controlled experiment on the tin/lead solid/liquid phase diagram, an inexpensive thermistor…