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101.
102.
Etienne V. Brouillet Alan R. Kennedy Tobias Krämer Robert E. Mulvey Stuart D. Robertson Alexander Stewart Stephen Towie 《无机化学与普通化学杂志》2020,646(13):726-733
Previous studies of different solvates of 2-methylpyridyllithium (2-picolyllithium) have uncovered electronic structures corresponding to aza-allyl and enamido resonance forms of the metallated pyridine-based compounds. Here, we report the synthesis and characterization of [2-CH2Li(THF)2C5H4N], a new THF solvate. X-ray crystallographic studies reveal a dimeric arrangement featuring a non-planar eight-membered [NCCLi]2 ring, in which the primary cation-anion interaction is between the central Li atom and the C atom of the deprotonated methyl group [length, 2.285(2) Å], suggesting a new carbanionic resonance structure for this 2-picolyllithium series. The significant carbanionic character of [2-CH2Li(THF)2C5H4N] was confirmed by gas-phase DFT calculations [B3LYP/6-311+G(d)] with the calculated electron density interrogated by means of quantum theory of atoms in molecules (QTAIM) and natural bond orbital (NBO) analyses. For comparison these computational analyses were also performed on the literature structures of [2-CH2Li(2-Picoline)C5H4N] and [2-CH2Li(PMDETA)C5H4N]. In a reactivity study, [2-CH2Li(THF)2C5H4N] was found to undergo nucleophilic addition to pyridine to generate dipyridylmethane in a good yield. 相似文献
103.
104.
We obtained the azo‐imine ligand (2,2′‐[4‐(5‐methoxy salicylidene‐4‐iminophenylazo)phenylimino]diethanol) (HL) and its Cu (II) complex (CuL) from the ethanol solution. The complex Cu(L)2 was obtained as single crystals from the CH3OH solution and structurally characterized. The electronic and photoluminescence properties of the ligand and its Cu (II) complex were investigated both in DMF solution and solid state. The oxidation and reduction behaviours of the compounds were studied in the solution and found that the redox processes are irreversible. Thermal studies show that the ligand has higher thermal stability than the CuL complex. Single crystals of the complex were obtained from slow evaporation of a DMF solution of the complex. Crystals of the complex showed a diffraction pattern; however, the structure of the complex was able to be solved. 相似文献
105.
106.
M. Isakov J. Kokkonen K. Östman V.-T. Kuokkala 《The European physical journal. Special topics》2016,225(2):231-242
In this paper, methods to produce rapid strain rate changes for strain rate sensitivity measurements in Split Hopkinson Bar arrangements are presented and discussed. Two different cases are considered: a strain rate change test within the high strain rate region in compression, and a tension test incorporating a large strain rate jump directly from the low strain rate region to high strain rates. The former method is based on the loading wave amplitude manipulation, while the latter method is based on the incorporation of a low strain rate loading device into a Tensile Split Hopkinson Bar apparatus. 相似文献
107.
A mass conservative well‐balanced reconstruction at wet/dry interfaces for the Godunov‐type shallow water model
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This paper presents a novel mass conservative, positivity preserving wetting and drying treatment for Godunov‐type shallow water models with second‐order bed elevation discretization. The novel method allows to compute water depths equal to machine accuracy without any restrictions on the time step or any threshold that defines whether the finite volume cell is considered to be wet or dry. The resulting scheme is second‐order accurate in space and keeps the C‐property condition at fully flooded area and also at the wet/dry interface. For the time integration, a second‐order accurate Runge–Kutta method is used. The method is tested in two well‐known computational benchmarks for which an analytical solution can be derived, a C‐property benchmark and in an additional example where the experimental results are reproduced. Overall, the presented scheme shows very good agreement with the reference solutions. The method can also be used in the discontinuous Galerkin method. Copyright © 2016 John Wiley & Sons, Ltd. 相似文献
108.
Özlem Sarıöz Osman Serindaĝ Meysun İ. Abdullah 《Phosphorus, sulfur, and silicon and the related elements》2013,188(7):1785-1795
Functionalized bis(amino)phosphines of the type PhP(NHR)2 ( 1a–c ) and aminophosphines of the type Ph2PNHR ( 2a–c ) have been synthesized by treating PhPCl2 or Ph2PCl with corresponding primary amines of H2N-R where R = -CH2SO3H, -C6H4SO3H, and benzo-15-crown-5. The molybdenum(0) complex of the aminophosphine ( 3 ) has been obtained by reacting cis-[Mo(CO)4(bipy)] with aminophosphine ( 2c ). The synthesized aminophosphines, bis(amino)phosphines, and the molybdenum(0) complex have been characterized by IR, 1H NMR, 31P NMR, and MS spectroscopic techniques and by elemental analysis. 相似文献
109.
In this study, dodecyltrimethylammonium (DTMA) bromide was used to modify natural sepiolite via an ion exchange reaction to form DTMA-sepiolite. Sepiolite and DTMA-sepiolite were then characterized by using Brunauer–Emmett–Teller (BET), elemental analysis, XRD, FT-IR, thermogravimetric (TG) and zeta potential analysis techniques. The BET surface area of sepiolite significantly decreased from 152.14 m2 g–1 to 88.63 m2 g–1, after the modification, due to the coverage of the pores of sepiolite. DTMA was located onto sepiolite according to the differential thermogravimetric (dTG) peaks of DTMA-sepiolite. XRD results confirmed the interaction between DTMA+ cations and sepiolite. FT-IR spectra indicated the existence of DTMA functional groups on sepiolite surface. After the characterization was accomplished, adsorption isotherm studies of naphthalene, which is the first member of the polycyclic aromatic hydrocarbons (PAHs), were carried out. The maximum adsorption capacity of DTMA-sepiolite for naphthalene was determined from Langmuir isotherm equation at pH 6 and 20 °C as 1.88 × 10–4 mol g?1 or 24.09 mg g?1. 相似文献