sobota, 30 października 2010

Naukowcy zbadali molekuły przechowujące energię cieplną

 
 

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przez Nauka w Polsce: Wiadomości dnia 10-10-28

Molekuły fulwalenu dwurutenowego mogą przechowywać i uwalniać energię cieplną - ustalili badacze z Massachusetts Institute of Technology.


 
 

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Substituted Diketopyrrolopyrroles as Input Energy Units in Soluble Donor–Acc...

 
 

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przez Chemistry – A European Journal autor: Raymond Ziessel dnia 10-10-30

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Dual for a transfer! A strategy has been devised for functionalizing fluorescent diketopyrrolopyrroles (DPP) dyes with a borondipyromethene (BODIPY) unit acting as an energy acceptor (see scheme). Quantitative intramolecular electronic energy transfer is effective by excitation in the DPP subunit in apolar and polar media, including aqueous methanol, to provide large Stoke shifts.


 
 

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piątek, 29 października 2010

First-Row Transition Metal Complexes of the Strongly Donating Pentadentate L...

 
 

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przez Inorganic Chemistry: Latest Articles (ACS Publications) autor: Jeremy M. Smith and Jeffrey R. Long dnia 10-10-28

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Inorganic Chemistry
DOI: 10.1021/ic1018407

 
 

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środa, 27 października 2010

Bimetallic Catalysis Involving Dipalladium(I) and Diruthenium(I) Complexes


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Bimetallic Catalysis Involving Dipalladium(I) and Diruthenium(I) Complexes

Abstract

Dipalladium(I) and diruthenium(I) compounds bridged by two [{(5,7-dimethyl-1,8-naphthyridin-2-yl)amino}carbonyl]ferrocene (L) ligands have been synthesized. The X-ray structures of [Pd2L2][BF4]2 (1) and [Ru2L2(CO)4][BF4]2 (2) reveal dinuclear structures with short metal–metal distances. In both of these structures, naphthyridine bridges the dimetal unit, and the site trans to the metal–metal bond is occupied by weakly coordinating oxygen from the amido fragment. The catalytic utilities of these bimetallic compounds are evaluated. Compound 1 is an excellent catalyst for phosphine-free, Suzuki cross-coupling reactions of aryl bromides with arylboronic acids and provides high yields in short reaction times. Compound 1 is also found to be catalytically active for aryl chlorides, although the corresponding yields are lower. A bimetallic mechanism is proposed, which involves the oxidative addition of aryl bromide across the PdPd bond and the bimetallic reductive elimination of the product. Compound 1 is also an efficient catalyst for the Heck cross-coupling of aryl bromides with styrenes. The mechanism for aldehyde olefination with ethyl diazoacetate (EDA) and PPh3, catalyzed by 2, has been fully elucidated. It is demonstrated that 2 catalyzes the formation of phosphorane utilizing EDA and PPh3, which subsequently reacts with aldehyde to produce a new olefin and phosphine oxide. The efficacy of bimetallic complexes in catalytic organic transformations is illustrated in this work.

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Good couple: Metal–metal singly bonded [PdIPdI] and [RuIRuI] complexes exhibit bimetallic synergy in the catalytic CC bond-coupling and aldehyde-olefination reactions, respectively (see figure).



B.O.

Design, Synthesis, and Operation of Small Molecules That Walk along Tracks


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Design, Synthesis, and Operation of Small Molecules That Walk along Tracks

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Journal of the American Chemical Society
DOI: 10.1021/ja106486b




B.O.

Pd(OAc)2-Catalyzed Oxidative C−H/C−H Cross-Coupling of Electron-Deficient Polyfluoroarenes with Simple Arenes


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Pd(OAc)2-Catalyzed Oxidative C−H/C−H Cross-Coupling of Electron-Deficient Polyfluoroarenes with Simple Arenes

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Journal of the American Chemical Society
DOI: 10.1021/ja109383e




B.O.

wtorek, 26 października 2010

Relative Weights of σ and π Ring Currents in a Few Simple Monocycles


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Relative Weights of σ and π Ring Currents in a Few Simple Monocycles

Journal of Chemical Theory and Computation
DOI: 10.1021/ct100442j




B.O.

Including Charge Penetration Effects in Molecular Modeling


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Including Charge Penetration Effects in Molecular Modeling

Journal of Chemical Theory and Computation
DOI: 10.1021/ct1003862




B.O.

Guanine- and Potassium-Based Two-Dimensional Coordination Network Self-Assem...

 
 

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przez Journal of the American Chemical Society: Latest Articles (ACS Publications) autor: Wei Xu, Jian-guo Wang, Miao Yu, Erik Lægsgaard, Ivan Stensgaard, Trolle R. Linderoth, Bjørk Hammer, Chen Wang and Flemming Besenbacher dnia 10-10-25

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Journal of the American Chemical Society
DOI: 10.1021/ja1078909

 
 

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Two-Dimensional, Pyrazine-Based Nonlinear Optical Chromophores with Rutheniu...

 
 

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przez Inorganic Chemistry: Latest Articles (ACS Publications) autor: Benjamin J. Coe, John Fielden, Simon P. Foxon, Inge Asselberghs, Koen Clays and Bruce S. Brunschwig dnia 10-10-20

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Inorganic Chemistry
DOI: 10.1021/ic1019197

 
 

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wtorek, 19 października 2010

Controlling Optical Properties and Function of BODIPY by Using Asymmetric Substitution Effects

Abstract

Asymmetrically substituted BODIPY analogues of the dye PM567 have been synthesised from 2-acylpyrroles and pyrroles that bear indene, fluorene or difluorene units. The type of linkage between the fluorene and the BODIPY core plays an important role in the photophysics of the BODIPY chromophore. Indeed, an aliphatic bridge gives rise to an energy-transfer process between the chromophores, whereas a vinyl spacer allows an electronic interaction between them, leading to a large red shift of the spectral bands. The laser action of the new dyes has been analysed under transversal pumping at 10 Hz repetition rate, in both liquid phase and incorporated into solid polymeric matrices. Lasing efficiencies of up to 40 % were reached with high photostabilities with the laser output remaining at the initial level after 1×105 pump pulses in the same position of the sample. The laser action of the new dyes outperforms the laser behaviour of commercial dyes that emit in the same spectral region. The replacement of fluorene by indene quenches the fluorescence and laser emission, but allows the development of an iron cation fluorescent sensor.

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It's all under control: A strategy to modulate the photophysical and optical properties of BODIPYs by using asymmetric substitution effects has been developed. New asymmetric BODIPY–indene and BODIPY–fluorene dyes have been synthesized (see figure) by a simple protocol.








B.O.

poniedziałek, 18 października 2010

Are Short, Low-Barrier Hydrogen Bonds Unusually Strong?


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Are Short, Low-Barrier Hydrogen Bonds Unusually Strong?

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Accounts of Chemical Research
DOI: 10.1021/ar100097j




B.O.

Synthesis of substituted 8-aminoquinolines and phenanthrolines through a Povarov approach


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Synthesis of substituted 8-aminoquinolines and phenanthrolines through a Povarov approach


Kavita De, Julien Legros, Benoit Crousse, Srinivasan Chandrasekaran, Daniele Bonnet-Delpon

(Communication from Org. Biomol. Chem.)

Kavita De, Org. Biomol. Chem., 2011, DOI: 10.1039/c0ob00496k

To cite this article before page numbers are assigned, use the DOI form of citation above.


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B.O.

niedziela, 17 października 2010

Hexa Boron-Dipyrromethene Cyclotriphosphazenes: Synthesis, Crystal Structure...

 
 

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przez Inorganic Chemistry: Latest Articles (ACS Publications) autor: M. Rajeswara Rao, R. Bolligarla, Ray J. Butcher and M. Ravikanth dnia 10-10-14

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Inorganic Chemistry
DOI: 10.1021/ic1016092

 
 

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On the Performance of Spin Diffusion NMR Techniques in Oriented Solids: Pros...

 
 

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Understanding Cooperativity in Hydrogen-Bond-Induced Supramolecular Polymeri...

 
 

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przez The Journal of Physical Chemistry B: Latest Articles (ACS Publications) autor: Ivo A. W. Filot, Anja R. A. Palmans, Peter A. J. Hilbers, Rutger A. van Santen, Evgeny A. Pidko and Tom F. A. de Greef dnia 10-10-13

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The Journal of Physical Chemistry B
DOI: 10.1021/jp1072928

 
 

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Energetics and Molecular Structure of 2,5-Dimethyl-1-phenylpyrrole and 2,5-D...

 
 

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przez The Journal of Physical Chemistry B: Latest Articles (ACS Publications) autor: Manuel A. V. Ribeiro da Silva and Ana Filipa L. O. M. Santos dnia 10-10-15

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The Journal of Physical Chemistry B
DOI: 10.1021/jp107018b

 
 

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piątek, 15 października 2010

Solution-phase Assembly of a Rhodium Complex via Specific Hydrogen Bonding b...

 
 

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przez Chemistry Letters autor: Masataka Kondo, Takuya Kochi, Mitsuo Sato, Aki Kitajima, and Fumitoshi Kakiuchi dnia 10-10-04



 
 

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N-Formylation of Amines Catalyzed by Nanogold under Aerobic Oxidation Condit...

 
 

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przez Chemistry Letters autor: Patcharee Preedasuriyachai, Hiroaki Kitahara, Warinthorn Chavasiri, and Hidehiro Sakurai dnia 10-10-08



 
 

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Anion and cation binding by a new indole/pyridine/amine-based ion-pair receptor

 
 

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Publication year: 2010
Source: Tetrahedron Letters, In Press, Accepted Manuscript, Available online 10 October 2010
Kristin N., Skala , Katelyn G., Perkins , Amna, Ali , Robert, Kutlik , Addie M., Summitt , ...
A new ion-pair receptor bis(3-bromoindol-2-ylmethyl)(2-pyridylmethyl)amine (1) was synthesized and studied for its anion and cation binding behavior using ESI-MS and 1H NMR spectroscopy. Among halides, 1 exhibits the strongest binding with Cl- to form a 1:1 adduct (Ka = 1042±21 in CD3CN). Among alkali metal ions, Li+ and Na+ showed the strongest binding in the formation of a 1·M+ complex. The simultaneous binding of Cl- and Li+ to 1 was confirmed by 1H NMR titration of a 1:1 mixture of 1 and Cl- with LiPF6 in 83:17 v/v mixture of CDCl3 and DMSO-d6. DFT-optimized structures of 1·Cl-, 1·Li+, and 1·Li+·Cl-...

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Synthesis, structure, and photoisomerization of derivatives of 2-(2-quinolyl...

 
 

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Publication year: 2010
Source: Tetrahedron, Volume 66, Issue 45, 6 November 2010, Pages 8763-8771
Yury A., Sayapin , Bang Nghia, Duong , Vitaly N., Komissarov , Igor V., Dorogan , Nadezhda I., Makarova , ...
A series of novel derivatives of the 1,3-tropolone (β-tropolone) system—2-(2-quinolyl)-5,6,7-trichloro-1,3-tropolones and 2-(2-quinolyl)-4,5,6,7-tetrachloro-1,3-tropolones have been prepared by the acid-catalyzed reaction of 2-methylquinolines with 3,4,5,6-tetrachloro-1,2-benzoquinone. The molecular structures of two compounds, 2-(4-chloro-6,8-dimethyl-5-nitro-2-quinolyl)-5,6,7-trichloro-1,3-tropolone 8 and 2-(4-chloro-7,8-dimethyl-5-nitro-2-quinolyl)-4,5,6,7-tetrachloro-1,3-tropolone 9, have been determined using X-ray crystallography. According to the performed DFT B3LYP/6-311++G∗∗ calculations the tautomeric (OH) and (NH) forms of β-tropolones 8 and 9 are nearly energy equivalent, the latter being more stabilized in polar media. Photolysis of 2-(2-quinolyl)-1,3-tropolones in heptane solution leads to the disrotatory electrocyclic rearrangement resulting in the formation of a mixture of E- and Z-isomers of 3-[2(1H)-quinolinylyden]-bicyclo[3.2.0]hept-6-en-2,4-dione derivatives.

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Selective deprotection and amidation of 2-pyridyl esters via N-methylation

 
 

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Publication year: 2010
Source: Tetrahedron, Volume 66, Issue 45, 6 November 2010, Pages 8667-8671
Shinji, Yamada , Misato, Abe
The 2-pyridyl residue serves as a protecting group for various carboxylic acids. The protecting group is selectively cleaved under mild conditions via N-methylation of the pyridyl group. During the deprotection process, the various functional groups as well as the other ester moieties remain intact. The N-methylated active esters can be subsequently transformed into amides.

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