Bis­(μ-pyridine-2,3-dicarboxyl­ato)bis­[aqua­(3-carb­oxy­pyridine-2-carboxyl­ato)indium(III)] tetra­hydrate

In the binuclear centrosymmetric title compound, [In2(C7H3NO4)2(C7H4NO4)2(H2O)2]·4H2O, which contains both pyridine-2,3-dicarboxyl­ate and 3-carb­oxy­pyridine-2-carboxyl­ate ligands, the InIII atom is six-coordinated in a distorted octa­hedral 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 mol­ecules and the carboxyl groups of the ligands, together with C—H⋯O and π–π inter­actions [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

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

Continuous symmetry of C60 fullerene and its derivatives

Conventionally, the Ih symmetry of fullerene C60 is accepted which is supported by numerous calculations. However, this conclusion results from the consideration of the molecule electron system, of its odd electrons in particular, in a close-shell approximation without taking the electron spin into account. Passing to the open-shell approximation has lead to both the energy and the symmetry lowering up to Ci. Seemingly contradicting to a high-symmetry pattern of experimental recording, particularly concerning the molecule electronic spectra, the finding is considered in the current paper from the continuous symmetry viewpoint. Exploiting both continuous symmetry measure and continuous symmetry content, was shown that formal Ci symmetry of the molecule is by 99.99% Ih. A similar continuous symmetry analysis of the fullerene monoderivatives gives a reasonable explanation of a large variety of their optical spectra patterns within the framework of the same C1 formal symmetry exhibiting a strong stability of the C60 skeleton.Comment: 11 pages. 5 figures. 6 table

Consequence of one-electron oxidation and one-electron reduction for aniline

Quantum-chemical calculations were performed for all possible isomers of neutral aniline and its redox forms, and intramolecular proton-transfer (prototropy) accompanied by π-electron delocalization was analyzed. One-electron oxidation (PhNH2 – e → [PhNH2]+•) has no important effect on tautomeric preferences. The enamine tautomer is preferred for oxidized aniline similarly as for the neutral molecule. Dramatical changes take place when proceeding from neutral to reduced aniline. One-electron reduction (PhNH2 + e → [PhNH2]-•) favors the imine tautomer. Independently on the state of oxidation, π- and n-electrons are more delocalized for the enamine than imine tautomers. The change of the tautomeric preferences for reduced aniline may partially explain the origin of the CH tautomers for reduced nucleobases (cytosine, adenine, and guanine)