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1.
Reaction of tBuPLi2 with Carbodiimides The reaction of bis(cyclohexyl)carbodiimide with tBuPLi2 in THF at 20 °C leads to the tetranuclear Li‐complex [Li4(THF)2{tBuP([cHexN]2C)2}2] ( 1 ). No addition on the carbodiimide but a silyl transfer was observed under similar conditions during the treatment of bis(trimethylsilyl)carbodiimide with tBuPLi2 to give the lithium salts tBuP(SiMe3)Li and [Li(THF)(Me3SiN‐C≡N)]n ( 2 ). 1 was characterized by NMR, IR and RE spectroscopy, mass spectrometry and X‐ray analyses. Theoretical calculations were performed for 1 . According to the structural investigations 1 consists ofa central centrosymmetrical twelve‐membered Li2N4C4P2 ring adjacent by two six‐membered LiN2C2P rings. The peripheric Li+ cations posssess coordination number (cn) 3 buildt‐up by two N atoms and a THF ligand, while the two central Li+ cations possess only cn 2. However, the theoretical calculations have shown no relevant bonding Li···Li or Li···P interaction. 相似文献
2.
The reaction of 2,6‐pyridinedicarboxylic acid ( 1 , LH2) with CeCl3·7H2O and Sm(NO3)3·6H2O in the presence of triethylamine led to the coordination polymer complexes [M(L)(LH)(H2O)2]·4H2O [M = Ce ( 2 ) and Sm ( 3 )]. Both complexes were characterized by elemental analyses, IR spectroscopy and the crystal structures of 2 and 3 . Crystal data for 2 at ?80 °C: monoclinic, space group P21/c, a = 1404.6(1), b = 1122.1(1), c = 1296.1(1) pm, β = 102.09(1)°, Z = 4, R1 = 0.0217 and for 3 at ?80 °C: monoclinic, space group P21/c, a = 1395.1(1), b = 1120.1(1), c = 1282.8(1) pm, β = 102.71(1)°, Z = 4, R1 = 0.019. 相似文献
3.
Heidar Raissi Effat Moshfeghi Abraham F. Jalbout Mohammad Saeid Hosseini Mustapha Fazli 《International journal of quantum chemistry》2007,107(9):1835-1845
The molecular structure and intramolecular hydrogen bond energy of 32 conformers of 4‐methylamino‐3‐penten‐2‐one were investigated at MP2 and B3LYP levels of theory using the standard 6–31G** basis set and AIM analyses. Furthermore, calculations for all the possible conformations of 4‐methylamino‐3‐penten‐2‐one in water solution were also carried out at B3LYP/6–31G** level of theory. The calculated geometrical parameters and conformational analyses in gas phase and water solution show that the ketoamine conformers of this compound are more stable than the other conformers (i.e., enolimine and ketoimine). This stability is mainly due to the formation of a strong N? H···O intramolecular hydrogen bond, which is assisted by π‐electrons resonance. Hydrogen bond energies for all conformers of 4‐methylamino‐3‐penten‐2‐one were obtained from the related rotamers method. The nature of intramolecular hydrogen bond existing within 4‐methylamino‐3‐penten‐2‐one has been investigated by means of the Bader theory of atoms in molecules, which is based on topological properties of the electron density. The results of these calculations support the results which obtained by related rotamers method. © 2007 Wiley Periodicals, Inc. Int J Quantum Chem, 2007 相似文献
4.
Diorganomorpholinometalates of Gallium and Indium – Monomer‐Dimer‐Equilibrium in Solution The reaction of Li[N(CH2CH2)2O] (LiMorpholinate; Li(Morph)) with Me2GaCl and Me2InCl gives by salt‐elimination the diorganoamidometalates Me2M(Morph) ( M = Ga: 1 ; M = In: 2 ), respectively. 1 and 2 were characterized by NMR and vibrational spectroscopy as well as by X‐ray structure determinations. According to this, centrosymmetrical dimers are present in the solid state while a monomer‐dimer equilibrium was assumed for the THF‐solution. Cryoscopic molecular weight determinations confirmed our assumptions. 相似文献
5.
Majid M. Heravi Mohammad Rahimizadeh Effat Iravani Mitra Ghassemzadeh 《Phosphorus, sulfur, and silicon and the related elements》2013,188(4):797-802
The synthesis of bicyclic compounds derived from benzo[1,2,4]triazines is described. 相似文献
6.
Ali A. Moshfegh Effat Beladi Lida Radnia Afsaneh S. Hosseini Soosan Tofigh Gholam H. Hakimelahi 《Helvetica chimica acta》1982,65(4):1264-1270
The synthesis of the title compounds ( 1 and 3 ) is described. Some of the compounds prepared were found to be active against a number of pathogenic microorganisms in vitro. Structure-activity relationship is briefly discussed. 相似文献
7.
Queueing with correlated arrivals occurs when customers arrive at a set of queues simultaneously. The difficulty in analyzing systems with correlated arrivals is due to the fact that the individual queueing systems are stochastically dependent. Exact methods for analyzing these systems are computationally intensive and are limited to only a few special cases. In this paper, we consider a system of parallel queues with bulk service and correlated arrivals. We show how the matrix-geometric approach can be used to obtain the performance measures of the system. We also develop an algorithm for large systems that efficiently approximates the performance measures by decomposing it into individual queueing systems. Finally, we describe how the principles of our decomposition algorithm can be extended to analyze a variety of different parallel queueing systems with correlated arrivals. We then evaluate the accuracy of our algorithm through a numerical study. 相似文献
8.
In this paper we discuss the use of self-protecting buildings as a means of reducing traffic noise nuisance. The results obtained from a computer model of one self-protecting configuration, namely a closed balcony shielding a window into a room, are compared with measurements made on a 1:10 scale model of this situation. From a comparison of these results an empirical equation is given which permits the benefits of a closed balcony to be predicted from the application of standard noise screen formulae.Since the degree of annoyance experienced by people exposed to traffic noise has been shown to be influenced by temporal variations of level, the computer model was extended to enable the effect of the balcony on this variability to be assessed. 相似文献
9.
Motivated by some recent results concerning the model of a noninteracting one-dimensional lattice gas with an order preservation of particles where multiple occupancy of the sites is not excluded, we give new symmetries and new reductions of the corresponding continuum nonlinear partial differential equation. Closed-form analytic solutions are found. 相似文献
10.