2,089 publications from this institution
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
We report the binding energy of various nucleobases (guanine (G), adenine (A), thymine (T) and cytosine (C)) with (5,5) single-walled carbon nanotube (SWNT) calculated using first-principle Hartre–Fock method (HF) together with classical force field. The binding energy without including the solvation effects of water decreases in the order G > A > T > C . The inclusion of solvation energy changes the order of binding preference to be G > T > A > C . Using isothermal titration (micro) calorimetry experiments, we also show the relative binding affinity to be T > A > C , in agreement with our calculations.
No abstract is provided for this article.
Vapor-phase pyrolysis of Fe(CO)5 in the presence of another carbon source such as CO or C6 H6 yields iron-filled or hollow nanotubes depending on the relative concentration of the carbon source. Essentially single-walled nanotubes are obtained when the C6H6/Fe(CO)5 ratio is high. Pyrolysis of metallocenes yields metal-filled nanotubes and hollow nanotubes are obtained when metallocenes are pyrolyzed along with benzene. Metal-decorated nanotubes are also obtained by this method.
A correlation of the infrared spectra of thiocarbonyl derivatives based on the literature data has been carried out. Assignments have also been made in some new systems. Since simple alkyl thioketones are unstable, we have prepared thiofenchone in order to obtain a reference C=S stretching frequency. The C=S stretching frequency in thiofenchone has been found around 1180 cm−1 which is in fair agreement with the value calculated for thioformaldehyde. In the case of the thiocarbonyl derivatives where the C=S group is linked to elements other than nitrogen, the stretching frequency is generally found in the region 1025–1225 cm−1. Strong vibrational coupling is operative in the case of the nitrogen containing thiocarbonyl derivatives and three bands seem to consistently appear in the regions 1395–1570 cm−1, 1260–1420 cm−1, 940–1140 cm−1 due to the mixed vibrations. These bands, which may be tentatively designated as the “−N−C=S I, II and III bands”, could be useful in qualitative analysis.
For Abstract see ChemInform Abstract in Full Text.
Graphene has generated great excitement in the last few years because of its novel properties with potential applications. Graphene exhibits an ambipolar electric field effect, ballistic conduction of charge carriers, and the quantum Hall effect at room temperature. Some of the other interesting characteristics of graphene include high transparency toward visible light, high elasticity and thermal conductivity, unusual magnetic properties, and charge transfer interactions with molecules. In this Account, we present the highlights of some of our research on the synthesis of graphene and its properties. Since the isolation and characterization of graphene by micromechanical cleavage from graphite, several strategies have been developed for the synthesis of graphene with either a single or just a few layers. The most significant contribution from our laboratory is the synthesis of two to four layer graphene by arc-discharge of graphite in a hydrogen atmosphere. Besides providing clean graphene surfaces, this method allows for doping with boron and nitrogen. UV and laser irradiation of graphene oxide provides fairly good graphene samples, and laser unzipping of nanotubes produces graphene nanoribbons. We have exploited Raman spectroscopy to investigate the charge-transfer interactions of graphene with electron-donor and -acceptor molecules, as well as with nanoparticles of noble metals. Graphene quenches the fluorescence of aromatics because of electron transfer or energy transfer. Notable potential applications of the properties of graphene are low turn-on field emission and radiation detection. High-temperature ferromagnetism is another intriguing feature of graphene. Although incorporation of graphene improves the mechanical properties of polymers, its incorporation with nanodiamond or carbon nanotubes exhibits extraordinary synergy. The potential of graphene and its analogues as adsorbents and chemical storage materials for H(2) and CO(2) is noteworthy.
Oxygen is shown to adsorb molecularly on gold as well as on Ag and Pt. UV and X-ray photoelectron spectroscopy and Auger electron spectroscopy have been employed to investigate electron states of molecularly adsorbed oxygen.
No abstract is provided for this article.
Films of nanocrystals such as Au, Ag and Pd, semiconducting sulphides such as CdS, ZnS and CoS, and oxides such as Fe 2 O 3 and CuO have been prepared by employing reactions at liquid-liquid (organic-aqueous) interfaces. In this method, a suitable organic derivative of the metal taken in the organic layer reacts at the interface with the appropriate reagent present in the organic layer. Two typical applications of nanocrystals pertaining to magnetic devices and dip-pen lithography are briefly presented.
No abstract is provided for this article.
Monte Carlo simulations with realistic interaction potentials have been carried out on isopentane to investigate the glass transition. Intermolecular pair-correlation functions of the glass show distinct differences from those of the liquid, the CH-CH pair-correlation function being uniquely different from the other pair-correlation functions. The coordination number of the glass is higher than that of the liquid, and the packing in the glass seems to be mainly governed by the geometrical constraints of the molecule. Annealing affects the properties of the glass significantly.
n-ZnO NR/p-Si and n-ZnO NR/p-PEDOT/PSS heterojunction light-emitting diodes (LEDs) have been fabricated with ZnO nanorods (NRs) grown by a low-temperature method as well as by employing pulsed laser deposition (PLD). The low-temperature method involves growing the ZnO nanorods by the reaction of water with zinc metal. The current–voltage (I–V) characteristics of the heterojunctions show good rectifying diode characteristics. The electroluminescence (EL) spectra of the nanorods show an emission band at around 390 nm and defect related bands in the 400–550 nm region. Room-temperature electroluminescence is detected under forward bias for both the heterostructures. With the low-temperature grown nanorods, the defect related bands in the 400–550 nm range are more intense in the EL spectra, whereas with the PLD grown nanorods, only the 390 nm band is prominent.
