303 research outputs found
BisÂ(μ-pyridine-2,3-dicarboxylÂato)bisÂ[aquaÂ(3-carbÂoxyÂpyridine-2-carboxylÂato)indium(III)] tetraÂhydrate
In the binuclear centrosymmetric title compound, [In2(C7H3NO4)2(C7H4NO4)2(H2O)2]·4H2O, which contains both pyridine-2,3-dicarboxylÂate and 3-carbÂoxyÂpyridine-2-carboxylÂate ligands, the InIII atom is six-coordinated in a distorted octaÂhedral geometry. One pyridine ligand is N,O-chelated while the other is N,O-chelated and at the same time bridging to the other via the second carboxyl group. In the crystal, an extensive O—H⋯O hydrogen-bonding network, involving the coordinated and lattice water molÂecules and the carboxyl groups of the ligands, together with C—H⋯O and π–π interÂactions [centroid–centroid distance = 3.793 (1) Å], leads to the formation of a three-dimensional structure
Electron-topological, energetic and π-electron delocalization analysis of ketoenamine-enolimine tautomeric equilibrium
The ketoenamine-enolimine tautometic equilibrium has been studied by the analysis of aromaticity and electron-topological parameters. The influence of substituents on the energy of the transition state and of the tautomeric forms has been investigated for different positions of chelate chain. The quantum theory of atoms in molecules method (QTAIM) has been applied to study changes in the electron-topological parameters of the molecule with respect to the tautomeric equilibrium in intramolecular hydrogen bond. Dependencies of the HOMA aromaticity index and electron density at the critical points defining aromaticity and electronic state of the chelate chain on the transition state (TS), OH and HN tautomeric forms have been obtained
Recommended from our members
Multi-Level Micromachined Systems-on-a-Chip: Technology and Applications
Researchers at Sandia have recently designed and built several research prototypes, which demonstrate that truly complex mechanical systems can now be realized in a surface micromachined technology. These MicroElectro- Mechanical Systems (MEMS) include advanced actuators, torque multiplying gear tmins, rack and pinion assemblies, positionable mirrors, and mechanical discriminators. All of tile mechanical components are batch fabricated on a single chip of silicon using the infrastructure origimdly developed to support today's highly reliabk; and robust microelectronics industry. Sand ia is also developing the technology 10 integrate microelectronic circuits onto the s,ime piece of silicon that is used to fabricate the MEMS devices. This significantly increases sensitivity and reliability, while fhrther reducing package size and fabrication costs. A review of the MEMS technology and capabilities available at Sandia National Laboratories is presented
Clar's Theory, STM Images, and Geometry of Graphene Nanoribbons
We show that Clar's theory of the aromatic sextet is a simple and powerful
tool to predict the stability, the \pi-electron distribution, the geometry, the
electronic/magnetic structure of graphene nanoribbons with different hydrogen
edge terminations. We use density functional theory to obtain the equilibrium
atomic positions, simulated scanning tunneling microscopy (STM) images, edge
energies, band gaps, and edge-induced strains of graphene ribbons that we
analyze in terms of Clar formulas. Based on their Clar representation, we
propose a classification scheme for graphene ribbons that groups configurations
with similar bond length alternations, STM patterns, and Raman spectra. Our
simulations show how STM images and Raman spectra can be used to identify the
type of edge termination
Recommended from our members
Micromachined systems-on-a-chip: Infrastructure, technology and applications
A review is made of the infrastructure, technology and capabilities of Sandia National Laboratories for the development of micromechanical systems that have potential space applications. By incorporating advanced fabrication processes, such as chemical mechanical polishing, and several mechanical polysilicon levels, the range of micromechanical systems that can be fabricated in these technologies is virtually limitless. Representative applications include a micro-engine driven mirror, and a micromachined lock. Using a novel integrated MEMS/CMOS technology, a six degree-of-freedom accelerometer/gyroscope system has been designed by researchers at U.C. Berkeley and fabricated on the same silicon chip as the CMOS control circuits to produce an integrated micro-navigational unit
Oxidative Coupling as a Biomimetic Approach to the Synthesis of Scytonemin
The first total synthesis of the dimeric alkaloid pigment scytonemin is described. The key transformations In Its synthesis from 3-indole acetic acid are a Heck carbocyclization and a Suzuki-Miyaura cross-coupling, orchestrated In a stereospecific tandem fashion, followed by a biosynthetically inspired oxidative dimerization. The tandem sequence generates a tetracyclic (E)-3-(arylidene)-3,4-dihydrocyclopenta[b]indol-2(1H)-one that is subsequently dimerized into the unique homodimeric core structure of scytonemin
- …