| Journal Articles: 16 results |
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Computational Analysis of Stereospecificity in the Cope Rearrangement Laura Glish and Timothy W. Hanks
Experimental product distributions from the Cope rearrangement of disubstituted 1,5-hexadienes can be readily understood by computer modeling of the various possible transitions states. Visual analysis of these geometries allow students to interpret the computational results by analogy to the familiar chair and boat conformations of substituted cyclohexanes.
Glish, Laura; Hanks, Timothy W. J. Chem. Educ. 2007, 84, 2001.
Alkenes |
Computational Chemistry |
Conformational Analysis |
Medicinal Chemistry |
MO Theory |
Molecular Modeling |
Mechanisms of Reactions
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Determination of the Rotational Barrier for Kinetically Stable Conformational Isomers via NMR and 2D TLC Gregory T. Rushton, William G. Burns, Judi M. Lavin, Yong S. Chong, Perry Pellechia, and Ken D. Shimizu
After the synthesis of a N,N'-diaryl naphthalene diimide, students estimate the rotational barrier about a CarylNimidesingle bond by studying the reequilibration of the two resulting isomers using two-dimensional thin-layer chromatography, followed by a more accurate determination through a 1H NMR time study.
Rushton, Gregory T.; Burns, William G.; Lavin, Judi M.; Chong, Yong S.; Pellechia, Perry; Shimizu, Ken D. J. Chem. Educ. 2007, 84, 1499.
Alcohols |
Chromatography |
Conformational Analysis |
Equilibrium |
Kinetics |
NMR Spectroscopy |
Physical Properties |
Rate Law |
Thin Layer Chromatography
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A Set of Hands-On Exercises on Conformational Analysis Silvina C. Pellegrinet and Ernesto G. Mata
This article describes a set of comprehensive exercises on conformational analysis that employs a hands-on approach by the use of molecular modeling kits. In addition, the exercises provide illustrations of other topics such as nomenclature, functional groups, and isomerism, and introduce some notions of chirality.
Pellegrinet, Silvina C.; Mata, Ernesto G. J. Chem. Educ. 2005, 82, 73.
Alkanes / Cycloalkanes |
Conformational Analysis |
Constitutional Isomers |
Molecular Properties / Structure |
Stereochemistry
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Molecular Modeling of Non-Trivial Cyclohexane Derivatives: A Discovery Approach Gail Horowitz
An experiment is described that utilizes molecular modeling to study the effects of sp2 hybridization, bond elongation, and heteroatom substitution upon the stabilities of the axial and equatorial conformers of cyclohexane.
Horowitz, Gail. J. Chem. Educ. 2004, 81, 1006.
Molecular Modeling |
Alkanes / Cycloalkanes |
Computational Chemistry |
Molecular Properties / Structure
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Cyclooctane conformational analysis via mechanical and computational models Fitzgerald, Jeffrey P.
Description of an exercise in which students use both mechanical and computational models to identify and quantify various types of strains in different conformations of a molecule.
Fitzgerald, Jeffrey P. J. Chem. Educ. 1993, 70, 988.
Molecular Modeling |
Alkanes / Cycloalkanes |
Diastereomers
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An expanded Fieser model suitable for a large classroom Levinson, Alfred S.; Zupan, Rudolph
In organic chemistry, one area in which models are indispensable is in introducing the conformational analysis of cyclopentane and cyclohexane rings.
Levinson, Alfred S.; Zupan, Rudolph J. Chem. Educ. 1992, 69, 369.
Alkanes / Cycloalkanes |
Molecular Modeling |
Molecular Properties / Structure
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Use of polar maps in conformational analysis Ounsworth, James P.; Weller, Larry
A relatively simple procedure to identify different or similar conformations of large ring structures (generating polar maps of torsional angles).
Ounsworth, James P.; Weller, Larry J. Chem. Educ. 1987, 64, 568.
Conformational Analysis |
Molecular Properties / Structure |
Alkanes / Cycloalkanes
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Conformational analysis - The last 25 years Eliel, Ernest L.
Reviews the development of conformational analysis.
Eliel, Ernest L. J. Chem. Educ. 1975, 52, 762.
Conformational Analysis |
Molecular Properties / Structure
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The boat form of cyclohexane as viewed by Midwestern sailors Lyle, Gloria; Lyle, Robert E.
Possible confusion regarding the boat analogy in describing the positions of hydrogens in cyclohexane.
Lyle, Gloria; Lyle, Robert E. J. Chem. Educ. 1973, 50, 655.
Molecular Properties / Structure |
Alkanes / Cycloalkanes |
Nomenclature / Units / Symbols
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Determination of the relative and absolute configurations of (-)menthol and (+)neomenthol. An introductory stereochemistry experiment Barry, J.
This activity serves to familiarize students with stereochemistry and the conformational analysis of cyclohexane systems.
Barry, J. J. Chem. Educ. 1973, 50, 292.
Stereochemistry |
Molecular Properties / Structure |
Alcohols |
Conformational Analysis
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Conformational analysis and chemical reactivity Idoux, John P.
Uses acyclic chemistry to illustrate important concepts regarding conformational analysis and chemical reactivity.
Idoux, John P. J. Chem. Educ. 1967, 44, 495.
Conformational Analysis |
Stereochemistry |
Diastereomers
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Conformational analysis in the elementary organic course Allinger, Norman L.
Examines the history of conformational analysis, examples of systems in which this analysis is important, and the use of current conformational analysis research in teaching.
Allinger, Norman L. J. Chem. Educ. 1964, 41, 70.
Conformational Analysis |
Molecular Properties / Structure
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Cyclobutane chemistry. 1. Structure and strain energy Wilson, Armin; Goldhamer, David
Examines the various conformations that have been proposed for particular four-membered rings.
Wilson, Armin; Goldhamer, David J. Chem. Educ. 1963, 40, 504.
Alkanes / Cycloalkanes |
Molecular Properties / Structure
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Lecture demonstration models of cycloalkanes Schultz, Harry P.
Describes large, sturdy, lecture demonstration models of cycloalkanes.
Schultz, Harry P. J. Chem. Educ. 1962, 39, 648.
Molecular Modeling |
Molecular Properties / Structure |
Alkanes / Cycloalkanes
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Conformational analysis in mobile systems Eliel, Ernest L.
A review of conformational analysis and its application to mobile systems.
Eliel, Ernest L. J. Chem. Educ. 1960, 37, 126.
Conformational Analysis |
Molecular Properties / Structure |
Alkanes / Cycloalkanes
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A notation for the study of certain stereochemical problems Newman, Melvin S.
Newman introduces the projections of compounds containing two adjacent asymmetric carbons that would later bear his name.
Newman, Melvin S. J. Chem. Educ. 1955, 32, 344.
Nomenclature / Units / Symbols |
Stereochemistry |
Molecular Properties / Structure |
Conformational Analysis |
Chirality / Optical Activity
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