TIGER

Journal Articles: 48 results
The Mechanism of Covalent Bonding: Analysis within the Hückel Model of Electronic Structure  Sture Nordholm, Andreas Bäck, and George B. Bacskay
Hckel molecular orbital theory is shown to be uniquely useful in understanding and interpreting the mechanism of covalent bonding. Using the Hckel model it can be demonstrated that the dynamical character of the molecular orbitals is related simultaneously to the covalent bonding mechanism and to the degree of delocalization of the electron dynamics.
Nordholm, Sture; Bäck, Andreas; Bacskay, George B. J. Chem. Educ. 2007, 84, 1201.
Covalent Bonding |
MO Theory |
Quantum Chemistry |
Theoretical Chemistry
Cis and Trans Isomers of Cycloalkenes  Susan E. Barrows and Thomas H. Eberlein
The purpose of this article is to provide that analysis. In order for a cycloalkene to accommodate a trans double bond one or more of the following nonideal geometries must occur: a twisted p bond; pyramidal sp2-carbon atoms; nonideal sp3 bond angles; or longer than normal CC single and double bonds. This article provides a list of experimentally determined relative energies of the cis and trans isomers within the series cycloheptenecycloundecene, along with computationally derived energies at several levels of theory. It also examines the geometric distortions through which cycloalkenes relieve the strain introduced by a trans double bond.
Barrows, Susan E.; Eberlein, Thomas H. J. Chem. Educ. 2005, 82, 1334.
Computational Chemistry |
Molecular Modeling |
Alkenes |
Diastereomers
Understanding Rotation about a C=C Double Bond  Susan E. Barrows and Thomas H. Eberlein
We present a simple method of introducing the concept of a flexible C=C pi bond into beginning organic chemistry courses. We report the energetic demands of partial twisting about the C=C bond in 2-butene as calculated using DFT, LMP2, and MCSCF methods. Finally, using the results of these calculations, we assessed the degree of strain introduced by the twisted nature of the C=C bond in trans cycloalkenes.
Barrows, Susan E.; Eberlein, Thomas H. J. Chem. Educ. 2005, 82, 1329.
Computational Chemistry |
Molecular Mechanics / Dynamics |
Molecular Modeling |
Alkenes
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
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
Orbitals in Chemistry: A Modern Guide for Students
by Victor M. Gil
  David Hanson
Analysis of atomic and molecular orbitals.
Hanson, David. J. Chem. Educ. 2001, 78, 1184.
MO Theory |
Molecular Properties / Structure |
Quantum Chemistry |
Atomic Properties / Structure |
Covalent Bonding
An Investigation of the Value of Using Concept Maps in General Chemistry  Gayle Nicoll, Joseph S. Francisco, and Mary B. Nakhleh
Study of the degree to which students in introductory chemistry classes linked related concepts; comparisons of a class in which concept mapping was used and another in which it was not.
Nicoll, Gayle; Francisco, Joseph S.; Nakhleh, Mary B. J. Chem. Educ. 2001, 78, 1111.
Covalent Bonding |
Learning Theories
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
Electronegativity and Bond Type: Predicting Bond Type  Gordon Sproul
Important limitations with using electronegativity differences to determine bond type and recommendations for using electronegativities in general chemistry.
Sproul, Gordon. J. Chem. Educ. 2001, 78, 387.
Covalent Bonding |
Materials Science |
Periodicity / Periodic Table |
Ionic Bonding |
Atomic Properties / Structure |
Metallic Bonding
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
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
Hydrogen Bonds Involving Transition Metal Centers Acting As Proton Acceptors  Antonio Martín
A short review of the most remarkable results which have recently reported M----H-X hydrogen bonds, along with a systematization of their structural and spectroscopic properties, is provided in this paper. These M----H interactions are substantially different from the "agostic" M----H ones, and their differences are commented on, setting up criteria that permit their clear differentiation in order to avoid some of the misidentifications that occurred in the past.
Tello, Antonio Martín. J. Chem. Educ. 1999, 76, 578.
Coordination Compounds |
Covalent Bonding |
Ionic Bonding |
Noncovalent Interactions |
Metals |
Organometallics |
Hydrogen Bonding
A Simple Qualitative Molecular-Orbital/Valence-Bond Description of the Bonding in Main Group "Hypervalent" Molecules  Owen J. Curnow
A multicenter valence-bond/molecular-orbital bonding scheme for main group "hypervalent" molecules is proposed which extends the 3-center-4-electron (3c-4e) bonding model of Rundle and Pimentel to include 4c-6e, 5c-8e, and 6c-10e bonds. This model allows the determination of bond orders and a rationalisation of bond distances.
Curnow, Owen J. J. Chem. Educ. 1998, 75, 910.
Covalent Bonding |
MO Theory |
Theoretical Chemistry |
Main-Group Elements |
Molecular Properties / Structure
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
A colorful demonstration to simulate orbital hybridization  Emerson, David W.
A simple, colorful demonstration involving nothing more than several beakers of colored water can speed up student comprehension of hybrid orbitals at the introductory level.
Emerson, David W. J. Chem. Educ. 1988, 65, 454.
Covalent Bonding |
Atomic Properties / Structure |
Molecular Properties / Structure
Organic lecture demonstrations  Silversmith, Ernest F.
Organic chemistry may not be known for its spectacular, attention getting chemical reactions. Nevertheless, this author describes a few organic chemistry reactions that put points across and generate interest. This article provides a convenient sources of demonstrations and urges others to add to the collection. Demonstrations concerning: carbohydrates, spectroscopy, proteins, amines, carbohydrates, carboxylic acids, and much more.
Silversmith, Ernest F. J. Chem. Educ. 1988, 65, 70.
Molecular Properties / Structure |
Nucleophilic Substitution |
Acids / Bases |
Physical Properties |
Alkenes |
Stereochemistry |
Enantiomers |
Chirality / Optical Activity |
Aldehydes / Ketones |
Alcohols
A short set of 13C-NMR correlation tables  Brown, D. W.
The object of these tables is to enable a student to calculate rapidly approximate d values for 13C nuclei in as wide a variety of compounds as possible.
Brown, D. W. J. Chem. Educ. 1985, 62, 209.
NMR Spectroscopy |
Molecular Properties / Structure |
Alkanes / Cycloalkanes |
Alkenes |
Alkynes |
Aromatic Compounds |
Amides |
Carboxylic Acids |
Esters
Models to depict hybridization of atomic orbitals  Stubblefield, C. T.
Six models of hybridization: linear, trigonal, tetrahedral, planar, trigonal bipyrimidal, and octahedral.
Stubblefield, C. T. J. Chem. Educ. 1984, 61, 158.
Atomic Properties / Structure |
Molecular Modeling |
Covalent Bonding |
Coordination Compounds
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
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
The LMO description of multiple bonding and multiple lone pairs  England, Walter
Examines localized molecular orbitals and the description of multiple bonds and lone pairs.
England, Walter J. Chem. Educ. 1975, 52, 427.
Covalent Bonding |
MO Theory
The Cooper structure - A simple model to illustrate the tetrahedral geometry of sp3 bonding  Walker, Ruth A.
A cut out model illustrating the tetrahedral geometry of sp3 bonding.
Walker, Ruth A. J. Chem. Educ. 1973, 50, 703.
Molecular Properties / Structure |
Molecular Modeling |
Covalent Bonding
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
Letter to the editor (the author replies)  Luder, W. F.
Replies to the concerns raised by the cited letter.
Luder, W. F. J. Chem. Educ. 1967, 44, 621.
Aromatic Compounds |
Covalent Bonding |
Molecular Properties / Structure
Letter to the editor  Sementsov, A.
Questions the configuration of benzene supported by the theory discussed in the cited paper.
Sementsov, A. J. Chem. Educ. 1967, 44, 621.
Aromatic Compounds |
Covalent Bonding |
Molecular Properties / Structure
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
Models for the double bond  Walters, Edward A.
Examines several models for the double bond, including the Baeyer model and bent-bond method.
Walters, Edward A. J. Chem. Educ. 1966, 43, 134.
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
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
An atomic and molecular orbital models kit  Stone, A. Harris; Siegelman, Irwin
The models presented here allows one to see the overlap that constitutes covalent bonds.
Stone, A. Harris; Siegelman, Irwin J. Chem. Educ. 1964, 41, 395.
Atomic Properties / Structure |
Molecular Modeling |
Molecular Properties / Structure |
Covalent Bonding
Bonding in xenon hexafluoride  Kaufman, Joyce J.
Examines empirical evidence and hypotheses regarding the bonding of xenon hexafluoride.
Kaufman, Joyce J. J. Chem. Educ. 1964, 41, 183.
Nonmetals |
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
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
Vibrating molecular models: Frequency shifts in strained ring double bonds  Colthup, Norman B.
Describes the study of the general effect of double bond-single bond interaction using vibrating molecular models.
Colthup, Norman B. J. Chem. Educ. 1961, 38, 394.
Molecular Modeling |
Covalent Bonding
The uses and abuses of bond energies  Knox, Bruce E.; Palmer, Howard B.
The author argues that the concepts of bond energy and bond-dissociation energy be presented to undergraduate physical and organic chemistry students in enough detail that some real understanding results.
Knox, Bruce E.; Palmer, Howard B. J. Chem. Educ. 1961, 38, 292.
Calorimetry / Thermochemistry |
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
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
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
Hyperconjugation: An elementary approach  Ferreira, Ricardo Carvalho
Presents kinetic, thermochemical, and spectroscopic evidence for hyperconjugation in organic species.
Ferreira, Ricardo Carvalho J. Chem. Educ. 1952, 29, 554.
Alkenes