| Journal Articles: 50 results |
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Molecular Models of Peroxides and Albendazoles William F. Coleman
This month's Featured Molecules are albendazole and benzoyl peroxide.
Coleman, William F. J. Chem. Educ. 2008, 85, 1710.
Consumer Chemistry |
Molecular Properties / Structure |
Molecular Modeling
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A New "Bottom-Up" Framework for Teaching Chemical Bonding Tami Levy Nahum, Rachel Mamlok-Naaman, Avi Hofstein, and Leeor Kronik
This article presents a general framework for bonding that can be presented at different levels of sophistication depending on the student's level and needs. The pedagogical strategy for teaching this model is a "bottom-up" one, starting with basic principles and ending with specific properties.
Levy Nahum, Tami; Mamlok-Naaman, Rachel; Hofstein, Avi; Kronik, Leeor. J. Chem. Educ. 2008, 85, 1680.
Atomic Properties / Structure |
Covalent Bonding |
Ionic Bonding |
Lewis Structures |
Materials Science |
MO Theory |
Noncovalent Interactions
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Lewis Structure Representation of Free Radicals Similar to ClO Warren Hirsch and Mark Kobrak
An unconventional Lewis structure is proposed to explain the properties of the free radical ClO and a series of its isoelectronic analogues, particularly trends in the spin density of these species.
Hirsch, Warren; Kobrak, Mark. J. Chem. Educ. 2007, 84, 1360.
Atmospheric Chemistry |
Computational Chemistry |
Covalent Bonding |
Free Radicals |
Lewis Structures |
Molecular Modeling |
MO Theory |
Valence Bond Theory
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Predicting the Stability of Hypervalent Molecules Tracy A. Mitchell, Debbie Finocchio, and Jeremy Kua
In this exercise, students use concepts in thermochemistry such as bond energy, ionization potentials, and electron affinities to predict the relative stability of two hypervalent molecules (PF5 and PH5) relative to their respective non-hypervalent counterparts.
Mitchell, Tracy A.; Finocchio, Debbie; Kua, Jeremy. J. Chem. Educ. 2007, 84, 629.
Computational Chemistry |
Covalent Bonding |
Ionic Bonding |
Lewis Structures |
Molecular Modeling |
Calorimetry / Thermochemistry |
Molecular Properties / Structure
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Electronic Structure Principles and Aromaticity P. K. Chattaraj, U. Sarkar, and D. R. Roy
Electronic structure principles dictate that aromatic molecules are associated with low energy, polarizability, and electrophilicity but high hardness values, while antiaromatic molecules possess the opposite characteristics. These relationships are demonstrated through B3LYP/6-311G** calculations on benzene and cyclobutadiene.
Chattaraj, P. K.; Sarkar, U.; Roy, D. R. J. Chem. Educ. 2007, 84, 354.
Aromatic Compounds |
Molecular Properties / Structure |
Quantitative Analysis |
Theoretical Chemistry |
Alkenes |
Quantum Chemistry
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Entropy and the Shelf Model: A Quantum Physical Approach to a Physical Property Arnd H. Jungermann
A quantum physical approach relying on energy quantization leads to three simple rules which are the key to understanding the physical property described by molar entropy values.
Jungermann, Arnd H. J. Chem. Educ. 2006, 83, 1686.
Alcohols |
Alkanes / Cycloalkanes |
Carboxylic Acids |
Covalent Bonding |
Ionic Bonding |
Physical Properties |
Quantum Chemistry |
Thermodynamics
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Fountain Pen Ink William F. Coleman
This months Featured Molecules are involved in the composition and stability of inks and include gallic and gallotannic acid.
Coleman, William F. J. Chem. Educ. 2006, 83, 1568.
Molecular Modeling |
Molecular Properties / Structure
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The Use of the Free, Open-Source Program Jmol To Generate an Interactive Web Site To Teach Molecular Symmetry Marion E. Cass and Henry S. Rzepa
Describes the use of Jmol, a free, open-source code program, for the presentation of interactive materials to teach molecular symmetry.
Cass, Marion E.; Rzepa, Henry S. J. Chem. Educ. 2005, 82, 1736.
Group Theory / Symmetry |
Molecular Properties / Structure
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A Program of Computational Chemistry Exercises for the First-Semester General Chemistry Course Scott E. Feller, Richard F. Dallinger, and Paul Caylor McKinney
A series of 13 molecular modeling exercises designed for the first-semester general chemistry course is described. The modeling exercises, which are used as both prelecture explorations and postlecture problems, increase in difficulty and in student independence.
Feller, Scott E.; Dallinger, Richard F.; McKinney, Paul Caylor. J. Chem. Educ. 2004, 81, 283.
Atomic Properties / Structure |
Computational Chemistry |
Molecular Modeling |
Molecular Properties / Structure
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Understanding and Interpreting Molecular Electron Density Distributions C. F. Matta and R. J. Gillespie
A simple introduction to the electron densities of molecules and how they can be analyzed to obtain information on bonding and geometry.
Matta, C. F.; Gillespie, R. J. J. Chem. Educ. 2002, 79, 1141.
Covalent Bonding |
Molecular Properties / Structure |
Quantum Chemistry |
Theoretical Chemistry |
Atomic Properties / Structure |
Molecular Modeling |
VSEPR Theory
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Lewis Structures in General Chemistry: Agreement between Electron Density Calculations and Lewis Structures Gordon H. Purser
The internuclear electron densities of a series of X-O bonds (where X = P, S, or Cl) are calculated using quantum mechanics and compared to Lewis structures for which the formal charges have been minimized; a direct relationship is found between the internuclear electron density and the bond order predicted from Lewis structures in which formal charges are minimized.
Purser, Gordon H. J. Chem. Educ. 2001, 78, 981.
Covalent Bonding |
Computational Chemistry |
Molecular Properties / Structure |
Lewis Structures |
Quantum Chemistry
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Molecular Modeling in the Undergraduate Chemistry Curriculum Martin B. Jones
Project to expose all chemistry students at all levels to computer-based molecular modeling.
Jones, Martin B. J. Chem. Educ. 2001, 78, 867.
Molecular Modeling |
Molecular Properties / Structure |
VSEPR Theory
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The Use of Molecular Modeling and VSEPR Theory in the Undergraduate Curriculum to Predict the Three-Dimensional Structure of Molecules Brian W. Pfennig and Richard L. Frock
Despite the simplicity and elegance of the VSEPR model, however, students often have difficulty visualizing the three-dimensional shapes of molecules and learning the more subtle features of the model, such as the bond length and bond angle deviations from ideal geometry that accompany the presence of lone pair or multiple bond domains or that result from differences in the electronegativity of the bonded atoms, partial charges and molecular dipole moments, and site preferences in the trigonal bipyramidal electron geometry.
Pfennig, Brian W.; Frock, Richard L. J. Chem. Educ. 1999, 76, 1018.
Molecular Modeling |
Molecular Properties / Structure |
Covalent Bonding |
VSEPR Theory
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Lewis Structures Are Models for Predicting Molecular Structure, Not Electronic Structure Gordon H. Purser
This article argues against a close relationship between Lewis dot structures and electron structure obtained from quantum mechanical calculations. Lewis structures are a powerful tool for structure prediction, though they are classical models of bonding and do not predict electronic structure.
Purser, Gordon H. J. Chem. Educ. 1999, 76, 1013.
Molecular Properties / Structure |
Covalent Bonding |
Computational Chemistry |
Quantum Chemistry |
MO Theory |
Learning Theories |
Lewis Structures |
Molecular Modeling
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Simplified Lewis Structure Drawing for Nonscience Majors Barnabe B. Miburo
Lewis structures are drawn using a simplified novel method with the following features: 1) the atoms used are brought in carrying all their valence electrons; 2) bonds are created by pairing up valence electrons between the central atoms and peripheric atoms; 3) anions are formed by addition of electrons to single electrons on appropriate atoms, while cations are formed by removal of single electrons.
Miburo, Barnabe B. J. Chem. Educ. 1998, 75, 317.
Learning Theories |
Lewis Structures |
Nonmajor Courses |
Molecular Properties / Structure
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Two Comments on Bond Angles P. Glaister
The alternative approach of using the scalar (or dot) product of vectors enables the determination of the bond angle in a tetrahedral molecule in a simple way. There is, of course, an even more straightforward derivation suitable for students who are unfamiliar with vectors, or products thereof, but who do know some elementary trigonometry.
Glaister, P. J. Chem. Educ. 1997, 74, 1086.
Molecular Properties / Structure
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Lewis Structures of Oxygen Compounds of 3p-5p Nonmetals Darel K. Straub
Procedure for writing Lewis structures of oxygen compounds of 3p-5p nonmetals.
Straub, Darel K. J. Chem. Educ. 1995, 72, 889.
Lewis Structures |
Molecular Properties / Structure |
Covalent Bonding |
Main-Group Elements
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Lewis Structures of Boron Compounds Involving Multiple Bonding Straub, Darel K.
Considers evidence for multiple bonding in boron compounds and supposed exceptions to the octet rule.
Straub, Darel K. J. Chem. Educ. 1995, 72, 494.
Lewis Structures |
Covalent Bonding
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Drawing Lewis structures: A step-by-step approach Ahmad, Wan-Yaacob; Omar, Siraj
A simple step-by-step approach for deriving Lewis structures for students studying introductory chemistry.
Ahmad, Wan-Yaacob; Omar, Siraj J. Chem. Educ. 1992, 69, 791.
Lewis Structures |
VSEPR Theory |
Molecular Properties / Structure
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The nature of the chemical bond--1990: There are no such things as orbitals! Ogilivie, J. F.
The author discusses the fundamental principles of quantum mechanics, the laws and theories, and the relationship of quantum-mechanics to atomic and molecular structure, as well as their relevance to chemical education.
Ogilivie, J. F. J. Chem. Educ. 1990, 67, 280.
Quantum Chemistry |
Atomic Properties / Structure |
Molecular Properties / Structure
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The chemical bond DeKock, Roger L.
Overview of the chemical bond; considers ionic bonds, covalent bonds, Lewis electron dot structures, polar molecules and hydrogen bonds, and bonding in solid-state elements.
DeKock, Roger L. J. Chem. Educ. 1987, 64, 934.
Ionic Bonding |
Covalent Bonding |
Hydrogen Bonding |
Solid State Chemistry |
Lewis Structures |
Molecular Properties / Structure
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ChemPlate and Hopkins, a template and font for drawing molecular structures with the Macintosh computer Hwu, Jih Ru.; Wetzel, John M.; Robl, Jeffrey A.
80. Features, use, and results of ChemPlate and Hopkins, software for drawing molecular structures with a Macintosh computer.
Hwu, Jih Ru.; Wetzel, John M.; Robl, Jeffrey A. J. Chem. Educ. 1987, 64, 135.
Molecular Properties / Structure
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Teaching the concept of resonance with transparent overlays Richardson, W. S.
The overlap method can be useful in the development of the concept of a partial charge on the atoms of an ion.
Richardson, W. S. J. Chem. Educ. 1986, 63, 518.
Resonance Theory |
Molecular Properties / Structure
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Coulombic models in chemical bonding. II. Dipole moments of binary hydrides Sacks, Lawrence J.
A discussion of Coulumbic models and their aid in understanding chemical bonding.
Sacks, Lawrence J. J. Chem. Educ. 1986, 63, 373.
Electrochemistry |
Molecular Properties / Structure |
Covalent Bonding |
Noncovalent Interactions
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Molecular association and structure of hydrogen peroxide Gigure, Paul A.
The typical textbook treatment of molecular association and structure of hydrogen peroxide, and the implications of these concepts for the physical properties of hydrogen peroxide tend to be oversimplified and inaccurate.
Gigure, Paul A. J. Chem. Educ. 1983, 60, 399.
Molecular Properties / Structure |
Physical Properties |
Phases / Phase Transitions / Diagrams |
Hydrogen Bonding
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A needed replacement for the customary description of chemical bonding Sanderson, R. T.
Description of and encouragement to use an alternative to the covalent / ionic model for chemical bonding.
Sanderson, R. T. J. Chem. Educ. 1982, 59, 376.
Covalent Bonding |
Ionic Bonding
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Bent bonds and multiple bonds Robinson, Edward A.; Gillespie, Ronald J.
Considers carbon-carbon multiple bonds in terms of the bent bond model first proposed by Pauling in 1931.
Robinson, Edward A.; Gillespie, Ronald J. J. Chem. Educ. 1980, 57, 329.
Covalent Bonding |
Molecular Properties / Structure |
Molecular Modeling |
Alkenes |
Alkynes
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Loosely-bound diatomic molecules Balfour, W. J.
Over the past decade, careful spectroscopic studies have established the existence of bound rare gas and alkaline earth diatomic molecules.
Balfour, W. J. J. Chem. Educ. 1979, 56, 452.
Covalent Bonding |
Molecular Properties / Structure
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Teaching ion-ion, ion-dipole, and dipole-dipole interactions Yoder, Claude H.
Shows how electrostatic interactions can be expressed quantitatively through Coulomb's law and taught at a variety of places in the chemistry curriculum.
Yoder, Claude H. J. Chem. Educ. 1977, 54, 402.
Molecular Properties / Structure
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Strength of chemical bonds Christian, Jerry D.
Demonstrating the strength of chemical bonds by scaling a molecule up to a macroscopic size.
Christian, Jerry D. J. Chem. Educ. 1973, 50, 176.
Covalent Bonding |
Molecular Properties / Structure |
Metallic Bonding
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Why is the oxygen in water negative? Liebman, Joel F.
Oxygen in water is negative because a negative charge, unlike a positive, can be stabilized using ground state ionic resonance structures.
Liebman, Joel F. J. Chem. Educ. 1972, 49, 415.
Water / Water Chemistry |
Molecular Properties / Structure |
Oxidation State
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The electron-pair repulsion model for molecular geometry Gmespie, R. J.
Reviews the electron-pair repulsion model for molecular geometry and examines three-centered bonds, cluster compounds, bonding among the transition elements, and exceptions to VSEPR rules.
Gmespie, R. J. J. Chem. Educ. 1970, 47, 18.
Molecular Properties / Structure |
Covalent Bonding |
MO Theory |
VSEPR Theory |
Transition Elements
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Molecular geometry: Bonded versus nonbonded interactions Bartell, L. S.
Proposes simplified computational models to facilitate a comparison between the relative roles of bonded and nonbonded interactions in directed valence.
Bartell, L. S. J. Chem. Educ. 1968, 45, 754.
Molecular Properties / Structure |
VSEPR Theory |
Molecular Modeling |
Covalent Bonding |
Noncovalent Interactions |
Valence Bond Theory |
MO Theory
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Why does methane burn? Sanderson, R. T.
A thermodynamic explanation for why methane burns.
Sanderson, R. T. J. Chem. Educ. 1968, 45, 423.
Thermodynamics |
Reactions |
Oxidation / Reduction |
Calorimetry / Thermochemistry |
Covalent Bonding |
Ionic Bonding
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IV - Isoelectronic systems Bent, Henry A.
A detailed consideration of the principles of isoelectric systems.
Bent, Henry A. J. Chem. Educ. 1966, 43, 170.
Gases |
Nonmetals |
Covalent Bonding
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General chemistry exercise using atomic and molecular orbital models Walker, Ruth A.
Styrofoam balls and pipecleaners are used to construct models designed to convey an understanding of the three-dimensionality of the electron distribution in the ground state atom and the effect of bonding on this distribution.
Walker, Ruth A. J. Chem. Educ. 1965, 42, 672.
Atomic Properties / Structure |
Molecular Modeling |
Molecular Properties / Structure |
Covalent Bonding
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III - Bond energies Benson, Sidney W.
Examines bond dissociation energies , methods for measuring such energies, some representative values of such energies, structural aspects of bond dissociation energies, and bond energies in ionized species.
Benson, Sidney W. J. Chem. Educ. 1965, 42, 502.
Covalent Bonding
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Extensions in the use of plastic tetrahedral models Fieser, Louis F.
Describes the modification of existing models to provide for the construction of specialized organic and inorganic structures and their use in teaching.
Fieser, Louis F. J. Chem. Educ. 1965, 42, 408.
Molecular Modeling |
Molecular Properties / Structure |
Alkanes / Cycloalkanes
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Tangent-sphere models of molecules. III. Chemical implications of inner-shell electrons Bent, Henry A.
While a study of atomic core sizes might seem to hold little promise of offering interesting insights into the main body of chemical theory, it is demonstrated here that from such a study emerges a picture of chemical bonding that encompasses as particular cases covalent, ionic, and metallic bonds.
Bent, Henry A. J. Chem. Educ. 1965, 42, 302.
Atomic Properties / Structure |
Molecular Properties / Structure |
Molecular Modeling |
Covalent Bonding |
Ionic Bonding |
Metallic Bonding
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Precise atomic and molecular models Adler, Alan D.; Steele, William J.
Presents designs for skeletal or lattice and space-filling models
Adler, Alan D.; Steele, William J. J. Chem. Educ. 1964, 41, 656.
Atomic Properties / Structure |
Molecular Properties / Structure |
Molecular Modeling
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Framework molecular orbital models Brumlik, George C.; Barrett, Edward J.; Baumgarten, Reuben L.
Presents "Framework Molecular Orbital Models," which outline the symmetry axes and the symmetry planes of atomic and molecular orbitals in three dimensions and show on relative scale how far these orbitals reach out into molecular space.
Brumlik, George C.; Barrett, Edward J.; Baumgarten, Reuben L. J. Chem. Educ. 1964, 41, 221.
Molecular Modeling |
Molecular Properties / Structure
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Principles of chemical reaction Sanderson, R. T.
The purpose of this paper is to examine the nature of chemical change in the hope of recognizing and setting forth the basic principles that help us to understand why they occur.
Sanderson, R. T. J. Chem. Educ. 1964, 41, 13.
Reactions |
Thermodynamics |
Mechanisms of Reactions |
Kinetics |
Synthesis |
Covalent Bonding |
Ionic Bonding |
Metallic Bonding
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Tangent-sphere models of molecules. II. Uses in Teaching Bent, Henry A.
Tangent-sphere models can be used to represent highly strained bonds and multicentered bonds, atoms with expanded and contracted octets, inter- and intramolecular interactions, and the effects of electronegative groups, lone pairs, and multiple bonds on molecular geometry, bond properties, and chemical reactivity.
Bent, Henry A. J. Chem. Educ. 1963, 40, 523.
Molecular Properties / Structure |
Covalent Bonding
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Intrinsic bond energies Siegel, S.; Siegel, B.
Examines intrinsic bond energies drawn from spectroscopic data and focusses on beryllium hydride as an example.
Siegel, S.; Siegel, B. J. Chem. Educ. 1963, 40, 143.
Covalent Bonding |
Molecular Properties / Structure
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The electronic structures and stereochemistry of NO2+, NO2, and NO2- Panckhurst, M. H.
A comparison of the electronic structures and stereochemistry of NO2+, NO2, and NO2-.
Panckhurst, M. H. J. Chem. Educ. 1962, 39, 270.
Stereochemistry |
Molecular Properties / Structure |
Resonance Theory
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Geometry in the beginning chemistry course Strong, Laurence E.; Clapp, L. B.; Edwards, J. O.
Presents a series of common general chemistry questions and their answers based on a structural analysis.
Strong, Laurence E.; Clapp, L. B.; Edwards, J. O. J. Chem. Educ. 1961, 38, 530.
Molecular Properties / Structure
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Principles of chemical bonding Sanderson, R. T.
Develops, through 25 statements, the basic principles of chemical bonding.
Sanderson, R. T. J. Chem. Educ. 1961, 38, 382.
Covalent Bonding |
Metallic Bonding |
Ionic Bonding |
Atomic Properties / Structure |
Molecular Properties / Structure
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Accurate molecular models Godfrey, John C.
Describes the construction of molecular models that rely on plastics to represents as accurately as possible all of the physical characteristics of real molecules.
Godfrey, John C. J. Chem. Educ. 1959, 36, 140.
Molecular Modeling |
Molecular Properties / Structure
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Lone pair electrons Fowles, Gerald W. A.
The lone pair electrons, whether in simple or hybrid orbitals, have profound effects on the properties of the molecule; these effects may be discussed as bond angles, dipole moments, bond energies and lengths, and coordination and hydrogen bonding.
Fowles, Gerald W. A. J. Chem. Educ. 1957, 34, 187.
Atomic Properties / Structure |
Covalent Bonding |
Coordination Compounds |
Noncovalent Interactions |
Hydrogen Bonding |
Molecular Properties / Structure
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Models of plane molecules Harrell, Bryant; Corwin, Alsoph H.
Describes the construction of planar molecular models, particularly for ring systems.
Harrell, Bryant; Corwin, Alsoph H. J. Chem. Educ. 1955, 32, 186.
Molecular Modeling |
Molecular Properties / Structure
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