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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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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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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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One-Pot Conversion of Aromatic Bromides and Aromatics into Aromatic Nitriles
Synlett, 2010Various aromatic bromides and iodides were smoothly converted into the corresponding aromatic nitriles in good to moderate yields by the treatment with butyllithium and subsequently DMF, followed by treatment with molecular iodine in aqueous ammonia.
Hideo Togo, Sousuke Ushijima
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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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Biochemistry, 1996
Within the papain family of cysteine proteinases few other residues in addition to the catalytic triad, Cys25-His159-Asn175 (papain numbering) are completely conserved [Berti & Storer (1995) J. Mol. Biol. 246, 273-283]. One such residue is tryptophan 177 which participates in a Trp-His-type interaction with the catalytic His159.
Bromme, Dieter +6 more
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Within the papain family of cysteine proteinases few other residues in addition to the catalytic triad, Cys25-His159-Asn175 (papain numbering) are completely conserved [Berti & Storer (1995) J. Mol. Biol. 246, 273-283]. One such residue is tryptophan 177 which participates in a Trp-His-type interaction with the catalytic His159.
Bromme, Dieter +6 more
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Aromatic–aromatic interactions in and around α-helices
Protein Engineering, Design and Selection, 2002To understand the role of aromatic-aromatic interactions in imparting specificity to the folding process, the geometries of four aromatic residues with different sequence spacing, located in alpha-helices or five residues from helical ends, interacting with each other have been elucidated.
Rajasri, Bhattacharyya +2 more
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“Carbo-aromaticity” and novel carbo-aromatic compounds
Chemical Society Reviews, 2015Recent advances in experimental and theoretical studies ofcarbo-benzene derivatives, along with the proposition of a generalization of the definition of aromaticity to the two-membered π-rings of triple bonds, suggest relevance for the notion of “carbo-aromaticity”.
Kévin, Cocq +3 more
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Aromaticity and Electrophilic Aromatic Substitution
1977The meaning of the word aromaticity has evolved as understanding of the reason for the special properties of benzene and other aromatic molecules has deepened. Originally, aromaticity was associated with a special chemical reactivity.1 The aromatic hydrocarbons were considered to be those unsaturated systems that underwent substitution reactions in ...
Francis A. Carey, Richard J. Sundberg
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