2,089 publications from this institution
Much progress in nanoscience and nanotechnology has been made in the past few years thanks to the increased availability of sophisticated physical methods to characterize nanomaterials. These techniques include electron microscopy and scanning probe microscopies, in addition to standard techniques such as X-ray and neutron diffraction, X-ray scattering, and various spectroscopies. Characterization of nanomaterials includes the determination not only of size and shape, but also of the atomic and electronic structures and other important properties. In this article we describe some of the important methods employed for characterization of nanostructures, describing a few case studies for illustrative purposes. These case studies include characterizations of Au, ReO 3 , and GaN nanocrystals; ZnO, Ni, and Co nanowires; inorganic and carbon nanotubes; and two-dimensional graphene.
No abstract is provided for this article.
Monte Carlo simulations of liquid and supercooled liquid states of neohexane, n-hexane, n-pentane, isopentane, neopentane and a model linear molecule are reported. A quantitative measure of the degree of disorder associated with the molecular centre of mass has been obtained from the minimal spanning tree method. The results suggest a strong dependence of the degree of disorder of the centre of mass on the molecular shape. The changes in the degree of disorder on cooling also depend on molecular geometry. There appears to be little difference in the structures as well as the magnitude of positional disorder of the liquid and the glassy states of linear molecules in contrast to those of globular molecules. Based on the results obtained from the simulations, regions have been identified in the m-σ plane, where one may expect plastic crystalline and liquid crystalline phases. This yields fresh insight into the nature of the structural phase diagram for polyatomic systems.
13 C resonances of carbonyl and methyl groups in amides are shifted down-field on interaction with alkali and alkaline earth metal salts. The magnitude of the shift depends on the ionic potential of the cation. Ions like Li+ bind to the amide carbonyl group both in neat amide solutions as well as in concentrated salt solutions in water.
No abstract is provided for this article.
Magnetic susceptibility studies on single crystals of nearly stoichiometric La2NiO4 with the applied field both parallel and perpendicular to the c axis show a transition at 204 K below which two-dimensional canted antiferromagnetic order seems to exist. This oxide also undergoes a transition from isotropic to anisotropic susceptibility near 100 and 250 K.
Nanocrystalline films of Au, Ag, and Cu have been prepared at the toluene−water interface by the interaction of metal−triphenylphosphine complexes in the organic layer with partially hydrolyzed tetrakishydroxymethylphosphonium chloride in the aqueous layer. The nanocrystals have been characterized by a host of microscopic and spectroscopic techniques. The free-standing films could be transferred from the interface onto solid supports. Furthermore, films could be dissolved to yield either a hydrosol or an organosol with the help of appropriate surfactants.
Electronic charge density distribution in molecular systems has been described in terms of the topological properties. After briefly reviewing methods of obtaining charge densities from X-ray diffraction and theory, typical case studies are discussed. These studies include rings and cage systems, hydrogen bonded solids, polymorphic solids and molecular NLO materials. It is shown how combined experimental and theoretical investigations of charge densities in molecular crystals can provide useful insights into electronic structure and reactivity.
No abstract is provided for this article.
Oxalates of n-propylamine, n-butylamine, ethylenediamine, 1,4-butanediamine, piperazine, guanidine and 1,4-diazabicyclo[2,2,2]octane (DABCO) have been synthesized and characterized by single crystal X-ray diffraction and other techniques. The amine oxalates show different types of hydrogen bonded networks, linear hydrogen bonded chains characterizing the oxalates of the first five amines. Guanidinium oxalate has a sheet like structure while DABCO oxalate has dimeric hydrogen bonded rings. Hydrogen bonded structures of these oxalates are discussed in detail, besides relating their thermal stability to the strengths of the networks.
Inorganic open-framework materials are discussed as a case study in the chemical design of materials. Investigations of open-framework zinc phosphates have demonstrated that the formation of the complex 3D architectures may involve a process wherein 1D ladders or chains, and possibly 0D monomers comprising four-membered rings, transform to the higher-dimensional structures. The 1D ladder and the four-membered rings appear to be important building units of these structures. At one stage of the building-up process, spontaneous self-assembly of a low-dimensional structure such as the ladder could occur, followed by the crystallization of a 3D structure. Accordingly, many of the higher-dimensional structures retain structural features of the 0D or 1D structure. It is significant that a four-membered ring zinc phosphate spontaneously yields a linear chain phosphate at room temperature, on addition of piperazine, the chain transforming to a sodalite-type 3D structure under mild conditions. The occurrence of a hierarchy of structures from 0-3 dimensions is found in open-framework metal oxalates as well. Interestingly, the 3D sodalite structure is generated readily by the assembly of metal squarates, possessing the four-membered ring motif. It is noteworthy that open-framework structures are also formed by oxyanions such as sulfate, selenite, and selenate. Transformations of molecules to complex architectures are a worthy area of study, defining a new direction in the chemistry of materials.
No abstract is provided for this article.
