We investigate the dynamic propensity in a coarse-grained model of a room-temperature ionic liquid via molecular dynamics simulations. Dynamic propensity is defined as the average of squared displacements for each ion during a given time interval over the isoconfigurational ensemble. As the temperature is lowered, distributions of the dynamic propensity develop fat tails at high values, indicat...

Bread from air (and electricity): producing ammonia at the interface of porous carbons and room-temperature salt melts The ERC Starting Grant project "Nanocarbon-Ionic Liquid-Interfaces for Catalytic Activation Nitrogen" (CILCat) aims to establish a novel principle in catalysis that holds holistic perspectives activation small molecules within electric double-layers formed between ionic liquids...

The phase behaviour of phytantriol in the protic ionic liquid (PIL) 1-methylimidazolium pentadecafluorooctanoate (MImOF) and four different MImOF-water compositions was investigated by small- and wide-angle X-ray scattering (SAXS/WAXS), cross polarised optical microscopy (CPOM) and infrared spectroscopy (IR). MImOF is a distinct protic ionic liquid in that it contains a fluorocarbon anion and a...

A sTn double C-glycoside, sTn analogue 2, was synthesized using samarium chemistry developed in our laboratory. Complications in the oxidation reaction affording aldehyde acceptor were overcome by double protection of amide and the use of a room-temperature ionic liquid as solvent. Studies are underway to conjugate the sTn double C-glycoside hapten 2 to KLH carrier protein for biological evalua...

1-Ethyl-3-methylimidazolium bis(oxalato)borate ([Emim][BOB]), a room-temperature ionic liquid, has been prepared and used for the first time to develop new borate-containing material. A new open-framework cobalt borophosphate, (NH(4))(7)Co(4)(H(2)O)[B(2)P(4)O(15)(OH)(2)](2)[H(2)PO(4)][HPO(4)], with peanut shaped extra-large 16-ring channels has been obtained.

We report here an efficient and green method for Biginelli condensation reaction of aldehydes, β-ketoesters and urea or thiourea catalyzed by Brønsted acidic ionic liquid [Btto][p-TSA] under solvent-free conditions. Compared to the classical Biginelli reaction conditions, the present method has the advantages of giving good yields, short reaction times, near room temperature conditions and the ...

Proven electrochemical approaches were applied to study heterogeneous electron transfer (ET) between selected redox couples and gold electrodes modified with alkanethiol self-assembled monolayers (SAMs), using the room-temperature ionic liquid (RTIL) [bmim][NTf2] as reaction medium; ferrocene as freely diffusing redox probe in the RTIL was tested for ET through both thin (butanethiol) and thick...

Simple, low temperature and environmentally benign green route is proposed for preparation of nanocrystalline ZnO in presence of a low-cost and halide-free room-temperature ionic liquid (RTIL) by refluxing at 95 °C for 60 minutes. The X-ray diffraction (XRD) studies display that the products are well-crystallized in the form of wurtzite hexagonal. Morphology of the as-prepared ZnO was character...

In this research, we have developed cheap recyclable and task-specific acidic ionic liquids (AILs) 1-hydrogen-3-methylimidazolium hydrogen sulfate [Hmim]HSO4, 1-hydrogen-3-methylimidazolium chloride [Hmim]Cl, 2-pyrrolidonium hydrogensulfate [Hnhp]HSO4 and applied them in acid catalyzed synthesis of quinoxaline derivatives from 1,2-phenylendiamines and 1,2-dicarbonyl compounds. The products coul...

The origin of catalysis and selectivity induced by room temperature ionic liquids in several organic reactions has putatively been associated with the concept of cation effect (hydrogen bond donor ability of the ionic liquids) or anion effect (hydrogen bond accepting ability of the ionic liquids). We show that there may be cases where this a priori classification may not be correctly assigned. ...