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  • 1
    Electronic Resource
    Electronic Resource
    The Plausible Aromaticity of 1,8-Naphthalimides: The Enthalpy of Formation of N-Methyl-1,8-Naphthalimide (2000)
    Springer
    Structural chemistry 11 (2000), S. 1-7 
    Details
    ISSN: 1572-9001
    Keywords: Antiaromaticity ; aromaticity ; enthalpy of formation ; imides ; organic thermochemistry ; phenalene derivatives
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract In order to understand the aromaticity of 1,8-naphthalimides, the enthalpies of combustion and sublimation of N-methyl-1,8-naphthalimide were determined. The numerical values are −6095.8 ± 3.5 and 109.7 ± 0.8 kJ · mol−1. The enthalpies of formation of condensed and gas phase N-methyl-1,8-naphthalimide are accordingly −306.1 ± 3.9 and −196.4 ± 4.0 kJ · mol−1. It is deduced that naphthalimides enjoy some 40 kJ · mol−1 of aromatic stabilization over that of the maleimides, shown to be nominally destabilized and modestly antiaromatic in our recently published thermochemical study.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1009222404091
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  • 2
    Electronic Resource
    Electronic Resource
    Paradigms and Paradoxes: Aspects of the Energetics of Carboxylic Acids and Their Anhydrides (2000)
    Springer
    Structural chemistry 11 (2000), S. 265-269 
    Details
    ISSN: 1572-9001
    Keywords: Acetic acid and its anhydride ; carbon suboxide ; diatomic carbon ; enthalpy of formation ; enthalpy of reaction ; ketenes and diketenes
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Making use of the enthalpies of formation of the well-established acetic acid and acetic anhydride, the energetics of other carboxylic acid anhydrides (with four or fewer carbons) are discussed. Some of these species are also well known, such as succinic and maleic anhydride. Others are less well known, such as ketene and carbon suboxide and even diatomic carbon and malonic anhydride. Still others are more evasive, such as the classical anhydrides of formic and oxalic acid.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1009270411806
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  • 3
    Electronic Resource
    Electronic Resource
    Energy Levels and Orbitals of the Simplest Clusters in N-Dimensions (2000)
    Springer
    Structural chemistry 11 (2000), S. 173-176 
    Details
    ISSN: 1572-9001
    Keywords: Adjacency matrix ; eigenvalues and eigenvectors ; Hückel molecular orbital theory ; hybridization ; polyhedra ; spherical harmonics ; united atoms
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract We investigate the energy levels and orbitals, of the simplest clusters in arbitrary n-dimensions wherein each atom is attached to all of the others, and there is but one orbital per atom. This was done using a model analogous to Hückel molecular orbital theory wherein we naturally obtained the adjacency matrix and directly solved for the eigenvalues in simple closed form. Symmetry-based reasoning allows for facile solution, and also description, of the corresponding eigenvectors as well. We also discuss the related situation where there is a central atom symmetrically attached in n dimensions to n + 1 hydrogens.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1009269911013
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  • 4
    Electronic Resource
    Electronic Resource
    Paradigms and Paradoxes:Estimation of the Enthalpies of Formation of Some Common, Solid-Phase Compounds of Considerable Theoretical Importance (2000)
    Springer
    Structural chemistry 11 (2000), S. 325-329 
    Details
    ISSN: 1572-9001
    Keywords: Calcium carbonate ; cellulose ; enthalpy of formation ; graphite ; muscovite ; minerals ; polynuclear hydrocarbons ; polysaccharides ; silicon ; thermochemical mimics
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The enthalpies of formation of the following solid-state species are estimated: calcium carbonate, muscovite, graphite, cellulose, and silicon, which, as found in chalk, slate, pencil lead, paper, and integrated circuits, are key reagents in numerous theoretical studies. Agreement between theory and experiment is within 40 kJ mol−1.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1009242427659
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  • 5
    Electronic Resource
    Electronic Resource
    Paradigms and Paradoxes: Electronegativity and Bond Energies—Living Legacies of Linus and Lee (2000)
    Springer
    Structural chemistry 11 (2000), S. 375-378 
    Details
    ISSN: 1572-9001
    Keywords: Bond energies ; electronegativity ; enthalpies of formation and of reaction ; halogenolysis ; hydrocarbons ; lone pair-lone pair repulsion ; organosulfur compounds ; thermochemistry
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract In this paper we will discuss Pauling's classic Eq. (1) that relates bond energies, "D," and electronegativities, "x." Recast to be applicable to enthalpies of formation and reaction, we apply it to the study of hydrogenolysis reactions of dienes, diynes, and alkanes, halogenolysis reactions (with chlorine, bromine, and iodine) and metathetical reactions of organosulfur species (sulfides, sulfoxides, and sulfones). It is with great regret that this equation is found wanting.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1026574122815
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  • 6
    Electronic Resource
    Electronic Resource
    Paradigms and Paradoxes: Exothermicity of Some Reactions Involving the Noble Gas Fluorides and Oxides (2000)
    Springer
    Structural chemistry 11 (2000), S. 261-263 
    Details
    ISSN: 1572-9001
    Keywords: Explosives ; fluorinating power ; oxidizing power ; krypton difluoride ; xenon fluorides ; xenon oxides
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract It has long been known that the oxidizing/fluorinating power of noble gas fluorides increases in the order XeF2 〈 XeF4 〈 XeF6 〈 KrF2. While this does not initially appear surprising, a more careful investigation based on enthalpy and kechanistic considerations show some unexpected features. Reconciliation of these features also provides some understanding of the explosive nature of the sole isolable, noble gas oxides, XeO3 and XeO4.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1009218427736
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