Structure-resonance theory for pericyclic transition states

Herndon, William C.

doi:10.1021/ed058p371

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In the Laboratory1

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2008

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Cited by 10 publications

(1 citation statement)

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“…Laboratory experiments based on the Diels-Alder reactions and other cycloadditions have been extensively discussed (1,(3)(4)(5)(6)(7)(8)(9)(10), as have the Woodward-Hoffman rules (11)(12)(13)(14). It is not our goal to simply add to this literature, but rather to use this bit of chemistry as part of a larger project (15), in which students are introduced to more advanced concepts.…”

Section: In the Laboratorymentioning

confidence: 99%

Extensions of a Basic Laboratory Experiment: [4+2] and [2+2] Cycloadditions

Zelisko¹,

Amarne²,

Bain³

et al. 2008

J. Chem. Educ.

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Section: In the Laboratorymentioning

confidence: 99%

Extensions of a Basic Laboratory Experiment: [4+2] and [2+2] Cycloadditions

Zelisko¹,

Amarne²,

Bain³

et al. 2008

J. Chem. Educ.

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Structure‐Resonance Valence Bond Theory for Ferrocenes and Ferrocenylalkyl Cations

Agranat

1983

Israel Journal of Chemistry

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Structure‐resonance theory can be used to derive charge distributions and bond orders in ferrocenes, open ferrocenes and α‐ferrocenylalkyl cations. These species are of interest because they are unusually accessible and stable and understanding the electronic origin of this stabilization would aid in developing bonding models for organometallic systems. The methods for carrying out the calculations will be outlined. They involve shortcuts and algorithms for counting structures. The choice of structure basis, limited to conventional principal resonance structures, will be discussed. Charges and bond orders will be compared with NMR chemical shift and X‐ray data. The unusual stabilities of the ions and the role of the metal in stabilizing positive charge will be understandable within the conventional ideas of structural organic chemistry and resonance theory. These metal‐organic systems are highly delocalized and consequently resonance stabilized to a significant degree. They can be characterized as three‐dimensional aromatic compounds.

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Quantitative resonance theory: resonance energies of substituted conjugated hydrocarbons and the inherent resonance effects of substituents

Yang

1995

Journal of Molecular Structure: THEOCHEM

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Structure-resonance theory for pericyclic transition states

Abstract: The purpose of this article is to show that structure-resonance theory can be used to understand the effects of structure or substituents on the rates of thermal pericyclic reactions.

Cited by 10 publications

References 31 publications

Extensions of a Basic Laboratory Experiment: [4+2] and [2+2] Cycloadditions

Extensions of a Basic Laboratory Experiment: [4+2] and [2+2] Cycloadditions

Structure‐Resonance Valence Bond Theory for Ferrocenes and Ferrocenylalkyl Cations

Quantitative resonance theory: resonance energies of substituted conjugated hydrocarbons and the inherent resonance effects of substituents

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