Synthesis of New Secondary Amines and Their In Situ Catalytic Activity in Transfer Hydrogenation of Ketones and Antioxidant Properties

Russian Journal of Organic Chemistry - New secondary amine derivatives were synthesized by reduction of the corresponding Schiff bases with NaBH4. The reaction conditions were optimized to examine...     

Dichlorotriethylphosphine-[N-formyl-N,N′-bis(3,4-dimethoxy)benzyl-trimethylenediamine] platinum(II)

By treatment of 1,3-bis(3,4-dimethoxybenzyl)-3,4,5,6-tetrahydropyrimidinium chloride (1) with KOBu ^t and [PtCl₂(PEt₃)₂]₂ N-coordinated platinum complex (2) is obtained. The Pt atom is coordinated in square planar arrangements by two chloride ions in a trans-configuration, the N-formyl-N,N′-bisaryltrimethylenediamine nitrogen atom, and the phosphine P atom. An extensive three-dimensional network of three C-H…O hydrogen bonds, two C-H…π and one π…π interactions are responsible for the crystal stabilization. Intermolecular hydrogen bonds and C-H…π interactions produce R ₂ ² (6), R ₂ ² (22), R ₂ ² (24), R ₃ ³ (23), R ₄ ⁴ (26), and R ₄ ⁴ (32) rings.     

Vibrational spectroscopic investigation of methyl(5-[2-thienylcarbonyl]-1H-benzimidazol-2-yl: A comparative density functional study

FT-IR and Raman spectra of methyl(5-[2-thienylcarbonyl]-1H-benzimidazol-2-yl (nocodazole) are experimentally examined in the region of 4000–400 cm^?1. The optimized geometric parameters, conformational equilibria, normal mode frequencies, and corresponding vibrational assignments of nocodazole (C₁₄H₁₁N₃O₃S) calculated by means of the B3LYP hybrid density functional theory (DFT) method using the 6-31++G(d,p) basis set. Vibrational assignments are made based on the total energy distribution (TED) and the thermodynamic functions, highest occupied and lowest unoccupied molecular orbitals (HOMO and LUMO) of nocodazole are calculated. Calculations are employed for four energetically possible conformers of nocodazole (N1, N2, N3, and N4) in the gas phase. A comparison between the experimental and theoretical results indicates that the B3LYP method is able to provide satisfactory results for predicting vibrational wavenumbers if calculated values are scaled properly and the structural parameters.     

The Synthesis and Investigation of Liquid-Liquid Extraction Capability of N-Diphenylphosphino-N-ethylaniline and Its Chalcogenide Derivatives

The aminophosphine ligand was synthesized by the reaction of N-ethylaniline with chlorodiphenylphosphine in the presence of triethylamine at low temperature. Oxidation of the ligand with elemental sulfur or selenium afforded the corresponding aminophosphine sulfide and selenide. The compounds were characterized by elemental analyses, IR, ¹H and ³¹P NMR. N-diphenylphosphino-N-ethylaniline and its chalcogen derivatives were used as ligands in solvent extraction of metal picrates such as Cd²⁺ and Ni²⁺ from the aqueous to the organic phase. Influences of parameters such as pH of the aqueous phase, solvent, extraction time, and extradant concentration were investigated to determine the extraction ability of ligands for metal ions. Results of the experiments showed that an extractability of 95.5 and 97.8%, respectively for Ni²⁺, and Cd²⁺ at pH 2 could be achieved.

     

A parallel method for fast and practical high-order newton interpolation

We present parallel algorithms for the computation and evaluation of interpolating polynomials. The algorithms use parallel prefix techniques for the calculation of divided differences in the Newton representation of the interpolating polynomial. Forn+1 given input pairs, the proposed interpolation algorithm requires only 2 [log(n+1)]+2 parallel arithmetic steps and circuit sizeO(n ²), reducing the best known circuit size for parallel interpolation by a factor of logn. The algorithm for the computation of the divided differences is shown to be numerically stable and does not require equidistant points, precomputation, or the fast Fourier transform. We report on numerical experiments comparing this with other serial and parallel algorithms. The experiments indicate that the method can be very useful for very high-order interpolation, which is made possible for special sets of interpolation nodes.Supported in part by the National Science Foundation under Grant No. NSF DCR-8603722.Supported by the National Science Foundation under Grants No. US NSF MIP-8410110, US NSF DCR85-09970, and US NSF CCR-8717942 and AT&T under Grant AT&T AFFL67Sameh.     

Internal conversion studies of the 114 keV transition in175Lu

Measurements of the conversion line intensities, the directional correlation and the conversion probability for the 114 keVM1+E2 transition in¹⁷⁵Lu are reported. TheE2 admixture, determined from relativeK andL intensities, is (19.2±0.2)%. The theoreticalL _I internal conversion coefficient is found to be about 8% too low relative theK,L _II andL _III conversion coefficients.     

Magnetic resonance absorption of host-guest triplet paired centers in a mixed organic crystal system

Electron paramagnetic resonance absorptions of the host-guest paired centers has been observed at room temperature in pyrene-d₁₀ doped fluorene single crystal, when irradiated with ultraviolet light. The spin hamiltonian of the model paired center was denied, in terms of the probabilities of finding the excitation on the equivalent positions of the two different kinds of molecules. From comparison of theory and experiment, the fine structure parameters of the spin hamiltonian were calculated and the probabilities of finding the excitation on fluorene and pyrene-d₁₀ molecules were found to be equal.     

Molecular structure and vibrational spectra of alpha-benzoinoxime by density functional method

In the present study, an exhaustive conformational search of the Alpha-benzoinoxime has been performed. The FT-IR spectrum of this compound was recorded in the region 4000–400 cm^?1. The FT-Raman spectrum was also recorded in the region 3500–50 cm^?1. Vibrational frequences of the title compound were calculated by B3LYP method using 6–311++G(d, p) basis set. The calculated vibrational frequences were analysed and compared with experimental results.     

Near IR laser light visualizators using nonlinear GaSe and other layered crystallites

Two methods of preparation of the devices for visualization of pulsed and continuous near-IR (near infrared) are described and the results of conversion of pulsed and continuous IR (800–1360 nm) laser radiation into the visible range of spectra (400–680 nm) by using a transparent substrate covered with the particles (including nanoparticles) of effective nonlinear materials of GaSe _x S_{1 − x} (0.2 ≤ x ≤ 0.8) are presented. Converted light can be detected in transmission or reflection geometry as a visible spot corresponding to the real size of the incident laser beam. Developed device structures can be used for checking if the laser is working or not, for optical adjustment, for visualization of distribution of laser radiation over the cross of the beam and for investigation of the content of the laser radiation. Low energy (power density) limit for visualization of the IR laser pulses with 2–3 ps duration for these device structures are: between 4.6–2.1 μJ (3 × 10⁻⁴−1 × 10⁻⁴ W/cm²) at 1200 nm; between 8.4–2.6 μJ (4.7 × 10⁻⁴−1.5 × 10⁻⁴ W/cm²) at 1300 nm; between 14.4–8.1 μJ (8.2 × 10⁻⁴–4.6 × 10⁻⁴ W/cm²) at 1360 nm. Threshold damage density is more than 10 MW/cm² at λ = 1060 nm, pulse duration τ = 35 ps. The results are compared with commercially existing laser light visualizators.