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51.
钯II催化CO/乙烯共聚加压原位红外光谱研究 总被引:1,自引:1,他引:1
聚酿以其优良的物理、化学性能及原料(CO乙烯)简单易得的优点,在世界范围内已引起人们的普遍关注.为寻找价廉的催化剂或改良高效或(11)一双磷催化剂以推动聚酮的工业化进程,必须对共聚机理进行深入的研究.S;,n[’,’1、DrentP]等人根据对产品主链和端基的分析首先 相似文献
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53.
E. L. Kristallovich A. G. Eshimbetov V. M. Promyslov N. D. Chuvylkin L. I. Belen'kii L. V. Molchanov Kh. M. Shakhidoyatov 《Chemistry of Heterocyclic Compounds》2003,39(11):1516-1520
Quantum-chemical calculations and IR spectroscopy were used to study the conformations as well as the energy and spectral characteristics of 2,3-trimethylene- and 2,3-pentamethylene-3,4-dihydro-4-quinazolinones. The shift of -electron density from the heterocyclic system to the carbonyl group and, thus, the proton affinity of the oxygen atom of this group increase with expansion of the bond angle at the nitrogen atom in going from a five-membered to seven-membered ring. 相似文献
54.
The vibrational wavenumbers and the fundamental modes of 2,2′-biquinoline were obtained by density functional theory (DFT) with the B3LYP functional using the 6-31G(d,p) basis set. The calculated wavenumbers were scaled by a single factor of 0.965 to correct them for vibrational anharmonicity, but the force constants were overestimated. Normal coordinate analysis of the molecule was also carried out by using the force field of the quinoline molecule and the force field parameters of quinoline are shown to be transferable to 2,2′-biquinoline. The potential energy distribution associated with the normal modes is also given. The theoretical wavenumbers are found to be in good agreement with the experimental data. 相似文献
55.
A novel linear polymer (PFABT) containing bithiazole rings was synthesized by polycondensation of 2,2′‐diamino‐4,4′‐bithiazole (DABT) and formaldehyde. The complexes of PFABT with two transition metal ions (Fe2+, Cu2+) were prepared for the first time. The polymer was determined through FT‐IR, 1H‐NMR and elemental analysis (EA), and the complexes were characterized by FT‐IR. The magnetic behaviors of these complexes were measured as a function of magnetic field strength (0–50 kOe) at 4 K and as a function of temperature (4–300 K) under an applied magnetic field of 30 kOe. The results show that PFABT‐Cu2+ is a ferromagnet while PFABT‐Fe2+ is an anti‐ferromagnet. Copyright © 2007 John Wiley & Sons, Ltd. 相似文献
56.
Shiraz A. Markarian Liana S. Gabrielyan Karine R. Grigoryan 《Journal of solution chemistry》2004,33(8):1005-1015
FT IR ATR spectra of urea/dimethyl sulfoxide and urea/diethyl sulfoxide mixtures in the S=O and N—H stretching vibration regions at different molar ratios have been measured. On the basis of the band deconvolution data, various types of intermolecular associated forms, including dimers and hydrogen-bonded urea–sulfoxide complexes, have been revealed. The latter has been confirmed also by ab initio calculations. 相似文献
57.
58.
S Çak?r E Co?kunP Naumov E Biçer? Bulut H ?çbudakO Çak?r 《Journal of Molecular Structure》2002,608(1):101-107
Aspartame adduct of copper(II) chloride Cu(Asp)2Cl2·2H2O (Asp=aspartame) is synthesized and characterized by elemental analysis, FT IR, UV/vis, ESR spectroscopies, TG, DTG, DTA measurements and molecular mechanics calculations. Aqueous solution of the green solid absorbs strongly at 774 and 367 nm. According to the FT IR spectra, the aspartame moiety coordinates to the copper(II) ion via its carboxylate ends, whereas the ammonium terminal groups give rise to hydrogen bonding network with the water, the chloride ions or neighboring carboxylate groups. The results suggest tetragonally distorted octahedral environment of the copper ions. 相似文献
59.
Luigi Angiolini Daniele Caretti Elisabetta Salatelli Monique Biesemans 《Journal of organometallic chemistry》2006,691(9):1965-1972
Starting from 4-isopropylbenzoic acid, three new triorganotin carboxylates bearing methyl, butyl and phenyl substituents at tin, respectively, were prepared and fully characterized by spectroscopic and thermal techniques, with particular regard to the coordination number of tin atom, in solution as well as in the solid state. The triorganotin compounds, tested as transesterification catalysts in the reaction between ethyl acetate and primary, secondary or tertiary alcohol, respectively, displayed, as expected, a strong decrease of activity on passing from the primary to the tertiary alcohol reactant. Different activities by the tin carboxylates were also observed in the reaction between primary alcohol and ethyl acetate. The reaction mechanism, as elucidated by Sn NMR, involves coordination of both ester substrate and alcohol reactant to the triorganotin compound, the reaction conversion appearing related not only to the Lewis acidity of the tin atom, but also to the nature of the reactants. Preliminary catalytic tests were also carried out in the reaction between glyceryl tridodecanoate (as a model of natural triglyceride) and ethanol, mimicking the preparation of biodiesel fuel. Although in this case lower conversions were obtained with respect to the reactions on ethyl acetate, the catalytic activity of organotin derivatives appears considerable. 相似文献
60.
《Chemphyschem》2003,4(6):541-548
The first observation of a parity‐violation effect in molecules induced by weak interactions is still a dream that requires the synthesis and, eventually, the resolution of the enantiomers of well‐chosen simple chiral molecules together with an appropriate experimental set‐up for high‐resolution spectroscopy. Performing IR spectroscopy on highly enantiomerically enriched samples of bromochlorofluoromethane succeeded in giving an upper limit of 10?13 for the relative vibrational energy difference between the two enantiomers. These results led us to conceive a new experimental set‐up based on a supersonic molecular beam and to work on other chiral molecules, such as chlorofluoroiodomethane. A synthesis of (±)‐CHClFI from racemic chlorofluoroiodoacetic acid should, in the near future permit the preparation of optically active samples of this haloform. The development of molecular beam spectroscopy using a two‐photon Ramsey‐fringes experiment should allow us to reach the precision needed to observe parity violation. These experimental challenges, which stimulate a close collaboration between chemists and physicists, are presented. The success of these projects would open the route to new information on the molecular Hamiltonian, a better knowledge of the electroweak interaction, and a better control of the various chirality‐related properties of simple molecules. 相似文献