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Journal Articles: 61 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
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
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
Electronegativity and the Bond Triangle  Terry L. Meek and Leah D. Garner
The dependence of bond type on two parameters, electronegativity difference (??) and average electronegativity (?av), is examined. It is demonstrated that ionic character is governed by the partial charges of the bonded atoms, and metallic character by the HOMO¬ĚLUMO band gap.
Meek, Terry L.; Garner, Leah D. J. Chem. Educ. 2005, 82, 325.
Atomic Properties / Structure |
Covalent Bonding |
Metallic Bonding |
Ionic Bonding |
Main-Group Elements
The Noble Gas Configuration—Not the Driving Force but the Rule of the Game in Chemistry  Roland Schmid
Explains the covalent and ionic bonding behavior of main-group elements in terms of electromagnetic forces rather than the supposed "stability" of noble-gas configurations.
Schmid, Roland. J. Chem. Educ. 2003, 80, 931.
Molecular Modeling |
Periodicity / Periodic Table |
Main-Group Elements |
Atomic Properties / Structure |
Reactions |
Covalent Bonding |
Ionic Bonding
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
Electron Densities, Atomic Charges, and Ionic, Covalent and Polar Bonds  Ronald J. Gillespie
The terms ionic and covalent character are vague, qualitative, and ill-defined. In contrast, the analysis of the electron density by the AIM theory leads to clearly defined quantitative properties such as the charges on the atoms and the electron density at the bond critical point that provide a sound basis for discussing bonding and geometry.
Gillespie, Ronald J. J. Chem. Educ. 2001, 78, 1688.
Computational Chemistry |
Molecular Properties / Structure |
Theoretical Chemistry |
Ionic Bonding |
Covalent Bonding
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
Fast Ionic Migration of Copper Chromate  Adolf Cortel
Among the many demonstrations of ionic migration in an electric field, the ones showing the migration of colored Cu+2 and CrO4-2 ions are popular. The demonstration described here introduces some modifications to allow a fast displacement of these ions.
Cortel, Adolf. J. Chem. Educ. 2001, 78, 207.
Covalent Bonding |
Electrophoresis |
Separation Science
Should Gaseous BF3 and SiF4 Be Described as Ionic Compounds?  Arne Haaland, Trygve Helgaker, Kenneth Ruud, and D. J. Shorokhov
Analysis suggesting that representing BF3 and SiF3 as ionic compounds may be misleading.
Haaland, Arne; Helgaker, Trygve; Ruud, Kenneth; Shorokhov, D. J. J. Chem. Educ. 2000, 77, 1076.
Molecular Properties / Structure |
Covalent Bonding |
Ionic Bonding
Organizing Organic Reactions: The Importance of Antibonding Orbitals  David E. Lewis
It is proposed that unoccupied molecular orbitals arbitrate much organic reactivity, and that they provide the basis for a reactivity-based system for organizing organic reactions. Such a system is proposed for organizing organic reactions according to principles of reactivity, and the system is discussed with examples of the frontier orbitals involved.
Lewis, David E. J. Chem. Educ. 1999, 76, 1718.
Covalent Bonding |
Mechanisms of Reactions |
MO Theory
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
A Way To Predict the Relative Stabilities of Structural Isomers  John M. Lyon
This paper discusses a method to evaluate the relative stabilities of structural isomers of inorganic and organic compounds. The method uses a simple set of rules that can be applied with only a knowledge of the electron configuration of the atoms and the periodic trends in atomic size.
Lyon, John M. J. Chem. Educ. 1999, 76, 364.
Covalent Bonding |
Diastereomers |
Molecular Properties / Structure
Demonstrations on Paramagnetism with an Electronic Balance  Adolf Cortel
The demonstration shows the paramagnetism of common inorganic compounds by measuring the force with which they are attracted by a magnet over the plate of an electronic balance.
Cortel, Adolf. J. Chem. Educ. 1998, 75, 61.
Magnetic Properties |
Atomic Properties / Structure |
Covalent Bonding
The Mechanism of Covalent Bonding  George B. Bacskay, Jeffrey R. Reimers, and Sture Nordholm
In this paper we reexamine the mechanism of covalent bonding, specifically with a view to its teaching, that starts with quantum theory and the interpretation of its predictions, such as electronic delocalization and the concomitant lowering of the electronic energy as bonding occurs. Indeed, delocalization is shown to be the central mechanism of covalent bond formation. These ideas are discussed in detail in the context of the simplest molecules: H2+ and H2.
Bacskay, George G.; Reimers, Jeffrey R.; Nordholm, Sture. J. Chem. Educ. 1997, 74, 1494.
Theoretical Chemistry |
Covalent Bonding
Teaching Chemistry with Electron Density Models  Gwendolyn P. Shusterman and Alan J. Shusterman
This article describes a powerful new method for teaching students about electronic structure and its relevance to chemical phenomena. This method, developed and used for several years in general chemistry and organic chemistry courses, relies on computer-generated three-dimensional models of electron density distributions.
Shusterman, Gwendolyn P.; Shusterman, Alan J. J. Chem. Educ. 1997, 74, 771.
Learning Theories |
Computational Chemistry |
Molecular Modeling |
Quantum Chemistry |
Atomic Properties / Structure |
Covalent Bonding |
Ionic Bonding |
Noncovalent Interactions
The Role of Electrostatic Effects in Organic Chemistry  Kenneth B. Wiberg
Electrostatic effects on the properties of organic compounds are reviewed to demonstrate the importance of electronegativity differences between the atoms forming a bond. Bond dissociation energies are generally found to increase as the electronegativity difference increases, and the bonds have increased ionic character.
Wiberg, Kenneth B. J. Chem. Educ. 1996, 73, 1089.
Atomic Properties / Structure |
Covalent Bonding |
Ionic Bonding
The nature of the chemical bond - 1992  Pauling, Linus
Commentary on errors in an earlier article on the nature of the chemical bond.
Pauling, Linus J. Chem. Educ. 1992, 69, 519.
Covalent Bonding |
Quantum Chemistry |
Atomic Properties / Structure |
Molecular Properties / Structure
The significance of the bond angle in sulfur dioxide  Purser, Gordon H.
Discussion of the bonding in and structure of SO2.
Purser, Gordon H. J. Chem. Educ. 1989, 66, 710.
Molecular Properties / Structure |
Covalent Bonding
Stereoelectronic effects, tau bonds, and Cram's rule  Wintner, Claude E.
Review of stereoelectronic effects and outline of the suggestion that the "bent bond" (tau bond) be used as a model for the double bond.
Wintner, Claude E. J. Chem. Educ. 1987, 64, 587.
Molecular Properties / Structure |
Covalent Bonding
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
The bonds of conformity: W. A. Noyes and the initial failure of the Lewis theory in America  Saltzman, Martin D.
Though their theoretical framework proved to be faulty, W. A. Noyes and several of his American contemporaries were among the first chemists to utilize the electron to explain organic structure and reactions.
Saltzman, Martin D. J. Chem. Educ. 1984, 61, 119.
Molecular Properties / Structure |
Covalent Bonding
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
The valence bond interpretation of molecular geometry  Smith, Derek W.
Shows that the valence bond theory not only provides an attractive means of describing the bonding in a molecule but can also explain its geometry.
Smith, Derek W. J. Chem. Educ. 1980, 57, 106.
Covalent Bonding |
Molecular Properties / Structure |
VSEPR Theory
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
Assigning oxidation states to some metal dioxygen complexes of biological interest  Summerville, David A.; Jones, Robert D.; Hoffman, Brian M.; Basolo, Fred
Considers the bonding of dioxygen in metal-dioxygen complexes, paying particular attention to the problems encountered in assigning conventional oxidation numbers to both the metal center and coordinated dioxygen.
Summerville, David A.; Jones, Robert D.; Hoffman, Brian M.; Basolo, Fred J. Chem. Educ. 1979, 56, 157.
Oxidation State |
Metals |
Covalent Bonding |
MO Theory
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
Solubility and the chemistry of the covalent bond: More on DDT - A substituted alkyl halide  Hill, John W.
Discusses applications of the insolubility of DDT in water and its solubility in covalent fatty tissues.
Hill, John W. J. Chem. Educ. 1970, 47, 634.
Covalent Bonding |
Precipitation / Solubility |
Agricultural Chemistry |
Applications of Chemistry |
Molecular Properties / Structure
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
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
Hard and soft acids and bases, HSAB, part II: Underlying theories  Pearson, Ralph G.
Explores possible explanations for and presents applications of the principles of hard and soft acids and bases.
Pearson, Ralph G. J. Chem. Educ. 1968, 45, 643.
Acids / Bases |
Lewis Acids / Bases |
Aqueous Solution Chemistry |
Solutions / Solvents |
Ionic Bonding |
Covalent Bonding
A bonding parameter and its application to chemistry  Elson, Jesse
In this study, single bond dissociation energies are combined with the associated bond distances to yield additional information about chemical bonding.
Elson, Jesse J. Chem. Educ. 1968, 45, 564.
Covalent Bonding |
Physical Properties
The electron repulsion theory of the chemical bond. II. An alternative to resonance hybrids  Luder, W. F.
The author proposes the electron repulsion theory of the chemical bond as an alternative to resonance hybrids.
Luder, W. F. J. Chem. Educ. 1967, 44, 269.
Covalent Bonding |
Resonance Theory
The electron repulsion theory of the chemical bond. I. New models of atomic structure  Luder, W. F.
Describes the electron repulsion theory of electron configuration and applies it to representative elements.
Luder, W. F. J. Chem. Educ. 1967, 44, 206.
Atomic Properties / Structure |
Covalent Bonding |
Metals
The chemistry of tetrasulfur tetranitride  Allen, Christopher W.
The chemistry of sulfur-nitrogen compounds has several features of interest and importance: stability of the sulfur-nitrogen bond, tendency to form six- and eight-membered rings, ring contraction, polymerization, and negative ion formation.
Allen, Christopher W. J. Chem. Educ. 1967, 44, 38.
Covalent Bonding |
Polymerization
A unified theory of bonding for cyclopropanes  Bernett, William A.
Examines various models for bonding in cyclopropanes.
Bernett, William A. J. Chem. Educ. 1967, 44, 17.
Covalent Bonding |
Molecular Properties / Structure |
Alkanes / Cycloalkanes |
MO Theory |
Molecular Modeling
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
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
Experiments on metal amine salts  Haight, G. P., Jr.
Tetrammine monaquo copper(II) sulfate is prepared and studied qualitatively and quantitatively.
Haight, G. P., Jr. J. Chem. Educ. 1965, 42, 468.
Metals |
Covalent Bonding |
Hydrogen Bonding |
Qualitative Analysis |
Quantitative Analysis
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
Reaction heats and bond strengths (Mortimer, C. T.)  Lacher, John R.

Lacher, John R. J. Chem. Educ. 1964, 41, A130.
Thermodynamics |
Covalent Bonding |
Ionic Bonding |
Metallic Bonding
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
A classical electrostatic view of chemical forces  Jaffe, H. H.
This paper reviews the different types of forces involved in the formation of chemical compounds, solids and liquids.
Jaffe, H. H. J. Chem. Educ. 1963, 40, 649.
Covalent Bonding |
Ionic Bonding |
Metallic Bonding |
Noncovalent Interactions
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
Chemical bonding and the geometry of molecules (Ryschkewitsch, George E.)  Eblin, Lawrence P.

Eblin, Lawrence P. J. Chem. Educ. 1963, 40, 441.
Molecular Properties / Structure |
Covalent Bonding
Relationship of exothermicities of compounds to chemical bonding  Siegel, Bernard
The sign and magnitude of the standard heat of formation of a chemical compound is often used incorrectly to characterize its relative stability compared to other compounds.
Siegel, Bernard J. Chem. Educ. 1963, 40, 308.
Calorimetry / Thermochemistry |
Covalent Bonding
Stable gaseous species at high temperatures  Siegel, Bernard
Presents a systematic correlation of the bonding in the gaseous elements with the strengths of their respective bonds.
Siegel, Bernard J. Chem. Educ. 1963, 40, 304.
Gases |
Carbocations |
Covalent Bonding
Chemistry of diphosphorus compounds  Huheey, James E.
Examines diphosphorus chemistry, including tri- and tetra- covalent diphosphorus compounds; optical activity in diphosphines; unsaturated diphosphorus compounds, cyclic compounds, and higher phosphines; reactions producing and destroying P-P bonds; and diphosphorus compounds as ligands.
Huheey, James E. J. Chem. Educ. 1963, 40, 153.
Molecular Properties / Structure |
Reactions |
Covalent Bonding |
Coordination Compounds
A comparison of theories: Molecular orbital, valence bond, and ligand field  Liehr, Andrew D.
Compares the development, nature, and applications of the molecular orbital, valence bond, and ligand field theories.
Liehr, Andrew D. J. Chem. Educ. 1962, 39, 135.
MO Theory |
Covalent Bonding |
Crystal Field / Ligand Field Theory
Ionic character, polarity, and electronegativity  Wilmshurst, J. K.
This article attempts to clearly define ionic character and polarity in both the valence bond and molecular orbital approximations; the electronegativity concept is also discussed.
Wilmshurst, J. K. J. Chem. Educ. 1962, 39, 132.
Covalent Bonding |
MO Theory
Inorganic infrared spectroscopy  Ferraro, John R.
Focuses on the use of infrared spectroscopy in solving various problems in inorganic chemistry.
Ferraro, John R. J. Chem. Educ. 1961, 38, 201.
Spectroscopy |
IR Spectroscopy |
Coordination Compounds |
Molecular Properties / Structure |
Organometallics |
Ionic Bonding |
Covalent Bonding
Distribution of atomic s character in molecules and its chemical implications  Bent, Henry A.
Explains the shape of simple molecules using the distribution of atomic s character.
Bent, Henry A. J. Chem. Educ. 1960, 37, 616.
Atomic Properties / Structure |
Molecular Properties / Structure |
Covalent Bonding
Some recent developments in the theory of bonding in complex compounds of the transition metals  Sutton, Leslie E.
Examines the ligand field and the molecular orbital theories of complexes, particularly involving transition metals.
Sutton, Leslie E. J. Chem. Educ. 1960, 37, 498.
Noncovalent Interactions |
Transition Elements |
Metals |
Crystal Field / Ligand Field Theory |
Coordination Compounds |
MO Theory |
Covalent Bonding
On the origin of characteristic group frequencies in infrared spectra  Dows, David A.
Examines the mechanics and energetics of vibrations in small and large molecules.
Dows, David A. J. Chem. Educ. 1958, 35, 629.
IR Spectroscopy |
Molecular Properties / Structure |
Covalent Bonding
Textbook errors: XV. Miscellanea  Mysels, Karol J.
Textbooks errors considered include the solubility of acetates, the effect of light on reactions, tetrahedral carbon, the production of aluminum, and fumaric acid.
Mysels, Karol J. J. Chem. Educ. 1958, 35, 32.
Photochemistry |
Covalent Bonding
Comparative organic chemistry: Carbon and silicon  Wilk, I. J.
Contrasts silicone chemistry with that of regular organic compounds.
Wilk, I. J. J. Chem. Educ. 1957, 34, 463.
Covalent Bonding |
Ionic Bonding |
Mechanisms of Reactions |
Stereochemistry
Some aspects of organic molecules and their behavior. II. Bond energies  Reinmuth, Otto
Examines bond and dissociation energies, the "constancy" of C-H and C-C dissociation energies, and some common types of organochemical reactions.
Reinmuth, Otto J. Chem. Educ. 1957, 34, 318.
Covalent Bonding |
Molecular Properties / Structure |
Reactions
Some aspects of organic molecules and their behavior. II. Bond energies  Reinmuth, Otto
Examines bond and dissociation energies, the "constancy" of C-H and C-C dissociation energies, and some common types of organochemical reactions.
Reinmuth, Otto J. Chem. Educ. 1957, 34, 318.
Covalent Bonding |
Molecular Properties / Structure |
Reactions
The coordinate bond and the nature of complex inorganic compounds. I. The formation of single covalent bonds  Busch, Daryle H.
The factors determining the stabilities of complex inorganic compounds are considered in terms of thermochemical cycle; it is pointed out that the stabilities of complexes increase as the percent covalent character in their bonds increases, and weak covalent bonds will occur in any given instance.
Busch, Daryle H. J. Chem. Educ. 1956, 33, 376.
Coordination Compounds |
Covalent Bonding |
Metals |
Atomic Properties / Structure
The evolution of valence theory and bond symbolism  Mackle, Henry
Traces the historic evolution of valence theory and bond symbolism, including numerical aspects of chemical bonding, the mechanism of chemical bonding and its origins, chemical bonding in organic compounds, stereochemical aspects of chemical bonding, residual valence of unsaturated compounds, and electronic theories of valence.
Mackle, Henry J. Chem. Educ. 1954, 31, 618.
Covalent Bonding
Electronegativities in inorganic chemistry. III  Sanderson, R. T.
The purpose of this paper is to illustrate some of the practical applications of electronegativities and charge distribution.
Sanderson, R. T. J. Chem. Educ. 1954, 31, 238.
Atomic Properties / Structure |
Covalent Bonding |
Acids / Bases