Simulation of time-resolved vibronic spectra and the possibility of analyzing molecules with similar spectral properties

The possibility of using time-resolved vibronic spectroscopy for spectral analysis of mixtures of chemical compounds with similar optical properties, when traditional methods (based on stedy-state spectra) are inefficient, is demonstrated by using the method of computer simulation. The analysis is carried out by the example of molecules of a series of polyenes (butadiene, hexadiene, octatetraene, decapentaene, and decatetraene), their various cis-and trans-rotational isomers, and phenyl-substituted polyenes. Ranges of relative concentrations of molecules similar in their spectral properties, where reliable interpretation of time-resolved spectra of mixtures and both qualitative and quantitative analyses are possible, are determined. The use of computer simulation methods for optimizing full-scale experiments in femtosecond spectroscopy is shown to hold much promise.     

Crystal and Molecular Structure of the Nitramino Derivatives of Tetrazole and 1,2,4-Triazole. III. 5-Nitraminotetrazole Lithium Salt Monohydrate

The structure of 5-nitraminotetrazole lithium salt monohydrate was determined by X-ray diffraction analysis. Crystals are monoclinic, space group P2₁/c; a = 8.3789(5), b = 10.1872(6), c = 6.6709(5) ; = 106.63(1)°; V = 545.60(98) ³; Z = 4; _calc = 1.875 g/cm³. The anion has a planar nitrimine structure with a delocalized negative charge. Each lithium cation (c.n. 5) is bound to three anions and two hydration water molecules. Both oxygen atoms of the nitro groups and the N(3) atom of the tetrazole ring are involved in cation coordination. The geometrical characteristics of the anion are similar to those found for other monosalts of 5-nitraminotetrazole.     

Crystal and molecular structure of nitraminotetrazole and nitramino-1,2,4-triazole. IV. 5-nitraminotetrazole sodium salt sesquihydrate

The structure of 5-nitraminotetrazole sodium salt sesquihydrate was determined by X-ray diffraction. The crystals are monoclinic, space group P2₁/c;a = 3.551(1) Å, b = 21.834(4) Å, c = 9.075(2) Å; = 110.68(3)°; V = 658.3(2) ų; Z = 4; _calc = 1.807 g/cm³. The anion is planar and has an intramolecular hydrogen bond. The negative charge of the anion is localized on one of the oxygens of the nitro group. The sodium cation (c.n.6) is coordinated by three oxygen atoms of different anions and three oxygens of crystallization water. One of the crystallization water molecules is disordered in the unit cell. The anions are hydrogen-bonded with each other and with crystallization water molecules.Original Russian Text Copyright © 2004 by A. M. Astakhov, A. D. Vasiliev, M. S. Molokeev, L. A. Kruglyakova, A. M. Sirotinin, and R. S. StepanovTranslated from Zhurnal Strukturnoi Khimii, Vol. 45, No. 3, pp. 562–565, May–June 2004.     

Chlorotrimethylsilane-promoted synthesis of 1,2,4-triazolopyrimidines from 3,5-diamino-1,2,4-triazoles and pentane-2,4-diones

An efficient synthesis of 2-amino-1-R-[1,2,4]triazolo[1,5-a]- pyrimidinium or 3-amino-2-R-[1,2,4]triazolo[4,3-a]pyrimidi- nium chloride derivatives by heterocyclization of 3,5-diamino- 1-R-1,2,4-triazoles (R = Alk or Ar) with pentane-2,4-diones was developed. The process is promoted by chlorotrimethyl- silane which plays the dual role of carbonyl-activating agent and water scavenger.     

Nickel(ii) N-heterocyclic carbene complexes as efficient catalysts for the Suzuki—Miyaura reaction

Russian Chemical Bulletin - Catalytic activity of nickel(ii) and palladium(ii) N-heterocyclic carbene (NHC) complexes derived from imidazole, benzimidazole, and 1,2,4-triazole was comparatively...     

Formation of a donor profile in silicon upon simultaneous implantation of phosphorus and sodium ions

A four-point probe method was used to study, as the layers were removed consecutively, the concentration distribution profiles of free electrons in high-resistivity p-Si with implanted P⁺ and Na⁺ ions. Anodic oxidation was used to remove layers at a depth of less than 1 μm, and polishing at larger depths. It was shown that the efficiency of diffusion doping of silicon with sodium is determined, to a large extent, by the ratio between the energies of P⁺ and Na⁺ ions. If the conditions are optimal, the efficiency of doping by simultaneous implantation of sodium and phosphorus ions is better (by a factor of 2.5 on the average) than that of doping with Na⁺ ions only.     

Picosecond dynamics of the photoinduced spin polarization in epitaxial (Ga,Mn)as films

Static and time-resolved magneto-optical spectra of the ferromagnetic semiconductor (Ga,Mn)As show that a pulsed photoexcitation with a fluence of 10 microJ/cm(2) is equivalent to the application of an external magnetic field of about 1 mT, which relaxes with a decay time of 30 ps. This relaxation is attributed to the spin relaxation of electrons in the conduction band and is found to be not affected by interactions with Mn ions.