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Journal Articles: 23 results
Orbital Exponent Optimization in Elementary VB Calculations of the Chemical Bond in the Ground State of Simple Molecular Systems  Valerio Magnasco
Orbital exponent optimization in the elementary ab-initio VB calculation of the ground states of H2+, H2, He2+, and He2 gives a fair description of the exchange-overlap component of the interatomic interaction that is important in the bond region.
Magnasco, Valerio. J. Chem. Educ. 2008, 85, 1686.
Atomic Properties / Structure |
Computational Chemistry |
Covalent Bonding |
Molecular Properties / Structure |
Quantum Chemistry |
Theoretical Chemistry |
Valence Bond Theory
Getting the Weights of Lewis Structures out of Hückel Theory: Hückel–Lewis Configuration Interaction (HL-CI)  Stéphane Humbel
A method to obtain the weights of Lewis structures from Hckel calculations is presented and tested against established ab initio methods.
Humbel, Stéphane. J. Chem. Educ. 2007, 84, 1056.
Computational Chemistry |
Lewis Structures |
Theoretical Chemistry |
Quantum Chemistry |
Resonance Theory |
Valence Bond Theory
On the Role of d Orbital Hybridization in the Chemistry Curriculum  John Morrison Galbraith
The use of d-orbital hybridization to describe hypervalent molecules should be removed from the general chemistry curriculum. The case of bonding in sulfur hexaflouride can illustrate that no theory provides all the right answers all the time.
Galbraith, John Morrison. J. Chem. Educ. 2007, 84, 783.
Computational Chemistry |
MO Theory |
Valence Bond Theory
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
Lecture Templates: Convenient Partial Lecture Delivery System  Elzbieta Cook and Robert L. Cook
Reports on the use of two forms of PowerPoint lecture presentationsa complete version used by the lecturer and a corresponding partial version available in advance to students. Pre-prepared lecture presentations allow for the sharing of lecture materials among teaching faculty and ensure consistency among several lecture sections in team taught courses.
Cook, Elzbieta; Cook, Robert L. J. Chem. Educ. 2006, 83, 1176.
Equilibrium |
Lewis Structures |
Professional Development
Valence, Oxidation Number, and Formal Charge: Three Related but Fundamentally Different Concepts  Gerard Parkin
The purpose of this article is to clarify the terms valence, oxidation number, coordination number, formal charge, and number of bonds and illustrate how the valence of an atom in a molecule provides a much more meaningful criterion for establishing the chemical reasonableness of a molecule than does the oxidation number.
Parkin, Gerard. J. Chem. Educ. 2006, 83, 791.
Coordination Compounds |
Covalent Bonding |
Lewis Structures |
Oxidation State |
Nomenclature / Units / Symbols
How We Teach Molecular Structure to Freshmen  Michael O. Hurst
Examination of how textbooks discuss various aspects of molecular structure; conclusion that much of general chemistry is taught the way it is for historical and not pedagogical reasons.
Hurst, Michael O. J. Chem. Educ. 2002, 79, 763.
Covalent Bonding |
Atomic Properties / Structure |
Molecular Properties / Structure |
Lewis Structures |
VSEPR Theory |
Valence Bond Theory |
MO Theory
The Role of Lewis Structures in Teaching Covalent Bonding  S. R. Logan
Difficulties with the Lewis theory of covalent bonding and upgrading it to the Molecular Orbital theory.
Logan, S. R. J. Chem. Educ. 2001, 78, 1457.
Covalent Bonding |
MO Theory |
Nonmajor Courses |
Learning Theories |
Lewis Structures |
Molecular Properties / Structure
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
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
Valency  Peter G. Nelson
The concept of valency is refined and developed. Three types of valency are distinguished : primary or classical, coordinate, and nonclassical. The first relates to simple compounds and to the components of multiple ones, the second to coordination compounds, and the third to transition-metal carbonyls and similar species. Each type is defined, evaluated, and applied to the prediction of the atomic composition of compounds.
Nelson, Peter G. J. Chem. Educ. 1997, 74, 465.
Valence Bond Theory |
Coordination Compounds |
Oxidation / Reduction
Experimental Illustration of the Utility of Lewis Structures: An FTIR Experiment for Introductory Chemistry  James E. Swartz and Kurt Schladetzky
An experiment is described in which students record the FTIR spectra of a series of organic liquids which contain a carbonyl group and to predict the strength of the carbonyl bonds based upon drawing and examination of various Lewis structures.
Swartz, James E.; Schladetzky, Kurt. J. Chem. Educ. 1996, 73, 188.
Fourier Transform Techniques |
Aldehydes / Ketones |
Lewis Structures
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
Common Textbook and Teaching Misrepresentations of Lewis Structures   Laila Suidan, Jay K. Badenhoop, Eric D. Glendening, and Frank Weinhold
Clarifying leading Lewis structures using computational software.
Suidan, Laila; Badenhoop, Jay K.; Glendening, Eric D.; Weinhold, Frank. J. Chem. Educ. 1995, 72, 583.
Lewis Structures |
Covalent Bonding |
Quantum Chemistry |
Molecular Properties / Structure
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
Using Formal Charges in Teaching Descriptive Inorganic Chemistry  DeWit, David G.
Using the concept of formal charges to predict bond properties, determine molecular structure, and explain reactivities and the tendency to polymerize.
DeWit, David G. J. Chem. Educ. 1994, 71, 750.
Descriptive Chemistry |
Molecular Properties / Structure |
Lewis Structures |
Polymerization
The Lewis Structure: An Expanded Perspective  Reed, James L.
A simple bridge between the molecular orbital and valence bond models.
Reed, James L. J. Chem. Educ. 1994, 71, 98.
Lewis Structures |
Covalent Bonding |
MO Theory |
Molecular Properties / Structure
Writing Lewis structures   Weeks, Daniel
In response to a problem posed in a June 1991 article, this author points to a solution he authored 17 years ago.
Weeks, Daniel J. Chem. Educ. 1993, 70, 519.
Lewis Structures
Electrons, bonding, orbitals, and light: A unified approach to the teaching of structure and bonding in organic chemistry courses  Lenox, Ronald S.
A suggested list of topics and methods for teaching introductory organic students bonding concepts.
Lenox, Ronald S. J. Chem. Educ. 1979, 56, 298.
Atomic Properties / Structure |
Lewis Structures |
Spectroscopy |
Covalent Bonding
Frank C. Whitmore and the first successful explanation of some intramolecular rearrangements  Saltzman, Martin D.
In 1932 Frank C. Whitmore presented a beautifully succinct and detailed pathway using the octet concept of Lewis to show the common basis of many intramolecular rearrangements discovered during the 19th and early 20th centuries.
Saltzman, Martin D. J. Chem. Educ. 1977, 54, 25.
Molecular Properties / Structure |
Covalent Bonding |
Lewis Structures
An alternative procedure to writing Lewis structures  Imkampe, Karl
Using simple molecular orbital pictures to represent all the resonance structures of larger organic molecules.
Imkampe, Karl J. Chem. Educ. 1975, 52, 429.
Lewis Structures |
Molecular Properties / Structure |
Resonance Theory
Increased-valence theory of valence  Harcourt, R. D.
Describes several "increased valence" formulas for molecular systems with one or more sets of pour electrons distributed among three atomic orbitals of three atoms.
Harcourt, R. D. J. Chem. Educ. 1968, 45, 779.
Atomic Properties / Structure |
Valence Bond Theory
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