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Donor Compounds (donor + compound)

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Chemistry100%

Selected Abstracts

Selective Tuning of the HOMO,LUMO Gap of Carbazole-Based Donor,Acceptor,Donor Compounds toward Different Emission Colors

EUROPEAN JOURNAL OF ORGANIC CHEMISTRY, Issue 9 2010
Huaqiang Zhang
Abstract Carbazole-based donor,acceptor compounds with tunable HOMO,LUMO gaps were synthesized by Suzuki and Sonogashira cross-coupling reactions. Their optical and electrochemical properties were fully characterized. The results show that materials with different emission colors ranging from blue to green to orange could be obtained. The experimental results were also supported by theoretical calculations. [source]

Local HSAB principle in the conjugate addition of p -substituted thiophenols to cyclohexenone

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Issue 1 2005
Rocío Meza
Abstract In the formation of new bonds through the Michel-type addition of thiolates to a ,,,-conjugate system, it is observed that the reaction takes place faster if the thio donor compound contains an electron-rich group or the enone acceptor is highly electron deficient. In contrast, the hard,soft acid,base (HSAB) principle predicts that this reaction is favored when a soft,soft interaction between the reactants takes place. Taking into account that softness is related to a barely electronegative atom of high polarizability, we consider it of interest to analyze the effect of charge transfer of a p -substituent on the softness of sulfur in thiophenols, as well as its impact in the conjugate addition to 2-cyclohexen-1-one. Experiments-in-competition, net charge of X-groups at the p -position of the aromatic ring, the global and local softness at sulfur, and the electrophilicity, obtained by density functional theory (DFT), led to the observation that the reaction is faster for electron attractor thiophenols. The softness at sulfur increases by delocalization of charge through the aromatic ring. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005 [source]

Cocrystals of 2-(2,4,5,7-tetranitrofluoren-9-ylidene)propanedinitrile and 2,4,5,7-tetranitrofluoren-9-one with chlorobenzene

ACTA CRYSTALLOGRAPHICA SECTION C, Issue 11 2001
Andrei S. Batsanov
Crystallization of 2,4,5,7-tetra­nitro-9-(di­cyano­methyl­ene)­fluor­ene [DTeF; systematic name: 2-(2,4,5,7-tetra­nitro­fluorene-9-yl­idene)­propane­di­nitrile] and 2,4,5,7-tetra­nitrofluoren-9-one (TeNF) from chloro­benzene in the presence of ,-donor compounds yielded the chloro­benzene solvate, C16H4N6O8·C6H5Cl, and the bis­(chloro­benzene) solvate, C13H4N4O9·2C6H5Cl, respectively. Both structures comprise mixed stacks of twisted fluorene moieties interspersed with nearly parallel chloro­benzene mol­ecules. Solvent-free crystals of DTeF and TeNF were obtained from pure chloro­benzene. [source]

A Macrophage Cell Model for Selective Metalloproteinase Inhibitor Design

CHEMBIOCHEM, Issue 13 2008
Faith E. Jacobsen
Abstract The desire to inhibit zinc-dependent matrix metalloproteinases (MMPs) has, over the course of the last 30 years, led to the development of a plethora of MMP inhibitors that bind directly to the active-site metal. With one exception, all of these drugs have failed in clinical trials, due to many factors, including an apparent lack of specificity for MMPs. To address the question of whether these inhibitors are selective for MMPs in a biological setting, a cell-based screening method is presented to compare the relative activities of zinc, heme iron, and non-heme iron enzymes in the presence of these compounds using the RAW264.7 macrophage cell line. We screened nine different zinc-binding groups (ZBGs), four established MMP inhibitors (MMPis), and two novel MMP inhibitors developed in our laboratory to determine their selectivities against five different metalloenzymes. Using this model, we identified two nitrogen donor compounds,2,2,-dipyridylamine (DPA) and triazacyclononane (TACN),as the most selective ZBGs for zinc metalloenzyme inhibitor development. We also demonstrated that the model could predict known nonspecific interactions of some of the most commonly used MMPis, and could also give cross-reactivity information for newly developed MMPis. This work demonstrates the utility of cell-based assays in both the design and the screening of novel metalloenzyme inhibitors. [source]