Results 241 to 250 of about 40,685 (294)
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Dehalogenation of Aromatics by Nucleophilic Aromatic Substitution
Environmental Science & Technology, 2014Nucleophilic aromatic substitution has been implicated as a mechanism for both the biotic and abiotic hydrodehalogenation of aromatics. Two mechanisms for the aqueous dehalogenation of aromatics involving nucleophilic aromatic substitution with hydride as a nucleophile are investigated using a validated density functional and continuum solvation ...
Sadowsky D, McNeill K, Cramer CJ
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On the aromaticity of annulenones
Tetrahedron, 1972Abstract Application of our method of predicting aromaticity 1 shows that the behavior of the annulenones is intermediate between that of the fulvenes (a nonaromatic series) and the annulenes (a series with strong alternation between aromatic and antiaromatic).
B.Andes Hess, L.J. Schaad, C.W. Holyoke
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Chemical Reviews, 2001 On the Aromatic Stabilization of Fused Polycyclic Aromatic Hydrocarbons
The Journal of Physical Chemistry A, 2021The thermodynamic properties and band gap energies were evaluated for six ortho- and peri-fused polycyclic aromatic hydrocarbons (PAHs): triphenylene; benzo[a]pyrene; benzo[e]pyrene; perylene; benzo[ghi]perylene; coronene. The standard molar enthalpies of formation in the crystalline state and the standard molar enthalpies of sublimation were measured ...
José C. S. Costa +4 more
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Aromatic–aromatic and proline–aromatic interactions in endomorphin-1 and endomorphin-2
European Journal of Medicinal Chemistry, 2005We investigated the aromatic-aromatic and proline-aromatic interactions in endomorphin-1 and endomorphin-2, and different types of these interactions were observed. For all the interacting pairs, the preferred geometric orientations were identified. We examined these interactions in the preferred secondary structures, which are different types of beta ...
Balázs, Leitgeb, Géza, Tóth
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Aromatic–Aromatic Interactions in Proteins: Beyond the Dimer
Journal of Chemical Information and Modeling, 2011Aromatic residues are key widespread elements of protein structures and have been shown to be important for structure stability, folding, protein-protein recognition, and ligand binding. The interactions of pairs of aromatic residues (aromatic dimers) have been extensively studied in protein structures.
Esteban Lanzarotti +4 more
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Chemistry – A European Journal, 2014
AbstractNo organic molecules with electron affinities near or above those of halogens are known. We show for the first time that aromaticity rules can be used to design molecules with electron affinities far exceeding those of halogen atoms either by tailoring the ligands of cyclopentadienyl or by multiple benzoannulations of cyclopentadienyl in ...
Child, Brandon +3 more
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AbstractNo organic molecules with electron affinities near or above those of halogens are known. We show for the first time that aromaticity rules can be used to design molecules with electron affinities far exceeding those of halogen atoms either by tailoring the ligands of cyclopentadienyl or by multiple benzoannulations of cyclopentadienyl in ...
Child, Brandon +3 more
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Chemistry – An Asian Journal, 2018
AbstractAromatic aminocatalysis refers to transformations that employ aromatic amines, such as anilines or aminopyridines, as catalysts. Owing to the conjugation of the amine moiety with the aromatic ring, aromatic amines demonstrate distinctive features in aminocatalysis compared with their aliphatic counterparts.
Jian Lv +4 more
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AbstractAromatic aminocatalysis refers to transformations that employ aromatic amines, such as anilines or aminopyridines, as catalysts. Owing to the conjugation of the amine moiety with the aromatic ring, aromatic amines demonstrate distinctive features in aminocatalysis compared with their aliphatic counterparts.
Jian Lv +4 more
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Accounts of Chemical Research, 2007
The first example of a family of related aromatic metallacycles has been synthesized, and the physical and chemical properties of its individual members have been investigated. The metallacyclic rings in these compounds are, in general, constructed from pentadienyl- or heteropentadienyliridium precursors via C-H bond activation processes. The molecules
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The first example of a family of related aromatic metallacycles has been synthesized, and the physical and chemical properties of its individual members have been investigated. The metallacyclic rings in these compounds are, in general, constructed from pentadienyl- or heteropentadienyliridium precursors via C-H bond activation processes. The molecules
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Aromaticity in Metallabenzenes
Chemistry – A European Journal, 2007AbstractThe electronic structure and bonding situation in 21 metallabenzenes (metal=Os, Ru, Ir, Rh, Pt, and Pd) were investigated at the DFT level (BP86/TZ2P) by using an energy decomposition analysis (EDA) of the interaction energy between various fragments. The aim of the work is to estimate the strength of the π bonding and the aromatic character of
Israel, Fernández, Gernot, Frenking
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