Sentences with word «arene»

Using computer simulations, researchers showed the crystal p - tert - butylcalix [4] arene easily pulls in carbon dioxide.
Moreover, the reaction is broadly tolerant of groups such as halogens, esters, and nitriles, and it manifests complementary site - selectivity to arene C - H borylation reactions.
The study, published online on January 26, 2015 in Nature Chemistry, reveals the first example of the controlled synthesis of benzene with different arene groups at all six positions «at - will», demonstrating the potential of this method to synthesize useful aromatic materials in a predictable and programmed manner.
Although there have been reports where up to three or four different aryl groups could be selectively installed onto benzene, this new study shows the selective installation of five or six different arene groups on benzene for the first time.
Published in Chemical Science, the reaction employs a chiral nickel catalyst and an activating agent at low temperatures to couple nucleophilic arenes, common motifs in bioactive compounds, with a feedstock chemical known as pyridine.
«Dynamics and free energies of CH4 and CO2 in the molecular solid of the p - tert - butylcalix [4] arene,» Chemical Physics Letters 453 (4 - 6): 123 - 128.
Researchers in the Doyle lab at Princeton have developed a direct and selective cross-coupling reaction that employs a chiral nickel catalyst and an activating agent at low temperatures to couple nucleophilic arenes, common motifs in bioactive compounds, with a feedstock chemical known as pyridine.
The chemists who designed this molecular trap — Jerry Atwood, William Orr, Simon Bott and Kerry Robinson at the University of Alabama in Tuscaloosa — were studying the bowl - shaped molecule calix (4) arene.
They found that the walls of one of their derivatives, p -(4 -(2 - hydroxyethylpiperidinomethyl)-RRB- calix (4) arene, had the surprising property of being flexible enough to bind a substrate molecule in two different states.
Simulating molecular behavior: To gain this knowledge, the researchers at PNNL began by designing computer simulations of carbon dioxide molecules interacting with p - tert - butylcalix [4] arene.
The calculation, known as Gibbs free energy, showed it is easy for p - tert - butylcalix [4] arene to absorb carbon dioxide.
To explore applying this material, researchers needed to know how carbon dioxide behaves as a guest molecule in p - tert - butylcalix [4] arene.
The team demonstrated their reaction on more than three dozen substrates, including 12 medicinally relevant compounds via a late - stage functionalization of an arene C — H bond, a feat that Huw M. L. Davies of Emory University describes as «most impressive.»
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