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1.
New erythro-β-chloroamines were synthesized by a mild and efficient stereoselective chlorination of unprotected amino alcohol diesters. These products are shown to be excellent building blocks for the synthesis of new substituted trans-oxazolidin-2-ones. 相似文献
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Neji Khelifi 《Journal of Russian Laser Research》2008,29(3):274-287
Adiabatic and diabatic study for all the states dissociating below the ionic limit [i.e., Na (3s, 3p, 4s, 3d, 4p, 5s, 4d,
and 4f) + H (1s)] in 1Σ+ and 3Σ+ symmetries are presented. Adiabatic results are also reported for 1,3Π and 1,3Δ symmetries. Pseudo-potential, operatorial core-valence correlation, and full valence CI approaches combined with an efficient
diabatization procedure are used in these ab initio calculations. Our vibrational-level spacings and spectroscopic constants
are in good agreement with the available experimental data for the low-lying states. Diabatic potentials and dipole moments
are analyzed, revealing the strong imprint of the ionic state in the 1Σ+ adiabatic states. The hydrogen electron affinity correction was taken into account by the use of the efficient diabatization
method. This leads to a better agreement with the available experimental data. Experimental suggestions are also given for
the higher excited states based on their unusual behavior. 相似文献
4.
Néji Besbes Houyem Jellali Patrick Pale Ezzeddine Srasra Mohamed Lotfi Efrit 《Comptes Rendus Chimie》2010,13(3):358-364
The silica gel, neutral alumina and acid activated clays transform the N-acyl-2,2-dimethylaziridines 1 into a mixture of N-methallylamides 2, oxazolines 3 and amidoalcohols 4. The reaction of N-benzoyl-2,2-dimethylaziridine with benzylcyanid anion leads to a mixture of amidopyrroline 5 and iminopyrrolidine 6. The product 5 was converted into its tautomer 6 by chromatogaphy on silica gel. Ionic mechanisms were then proposed to explain the formation of products 2–6 resulting from the regioselective ring opening on the more substituted C2 carbon side. 相似文献
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Theoretical study of the electronic structure of LiNa and LiNa<Superscript>+</Superscript> molecules
Neji Khelifi Riadh Dardouri Omar Marzook Al-Dossary Brahim Oujia 《Journal of Russian Laser Research》2009,30(2):172-186
Adiabatic potential energy, spectroscopic constants, dipole moments, and vibrational levels of the lowest electronic states
of the alkali dimer LiNa molecule dissociating into Na (3s, 3p, 4s, 3d, and 4p) + Li (2s, 2p, 3s, and 3p) in 1,3Σ, 1,3Π, and 1,3Δ symmetries are presented. Adiabatic results are also reported for 2Σ, 2Π, and 2Δ electronic states of the molecular ion LiNa+ dissociating into Li (2s, 2p, 3s, and 3p) + Na+ and Li+ + Na(3s, 3p, 4s, 3d, and 4p). We use an ab initio approach involving a non-empirical pseudopotential for the Li (1s2) and Na (1s22s22p6) cores and core valence correlation correction. A very good agreement is obtained for some lowest states of the LiNa and
LiNa+ molecules for spectroscopic constants with the available theoretical works. The existence of numerous avoided crossings between
electronic states of 2Σ and 2Π symmetries is related to the charge transfer process between the two ionic systems Li+Na and LiNa+. 相似文献
8.
Tarek Ben Salah Hatem Garrab Sami Ghedira Bruno Allard Damien Risaletto Christophe Raynaud Kamel Besbes Herv Morel 《Superlattices and Microstructures》2006,40(4-6):580
The paper evaluates the optimal design of the low-doped base region inside power diodes and other bipolar devices. It is demonstrated theoretically that a low-doped base region of P+N−N+ diodes can provide a high breakdown voltage and an optimal on-resistance . A simple, accurate and CPU timesaving approach is presented to extract an optimal value for the base region width, WB, and its doping concentration, ND. The paper details an analytical relation between WB and ND, and gives a method for quantifying the trade-off between their values for a given breakdown voltage and for obtaining the minimal on-resistance. Analytical results are confronted with experimental results for 4H-SiC- and 6H-SiC-based diodes. 相似文献
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We present pseudo-potential calculations of geometrical structures of stable isomers of LiAr
n
clusters with both an electronic ground state and excited states of the lithium atom. The Li atom is perturbed by argon atoms
in LiAr
n
clusters. Its electronic structure obtained as the eigenfunctions of a single-electron operator describing the electron in
the field of a Li+Ar
n
core, the Li+ and Ar atoms are replaced by pseudo-potentials. These pseudo-potentials include core-polarization operators to account for
the polarization and correlation of the inert core with the valence Lithium electron [J Chem Phys 116, 1839 1]. The geometry optimization of the ground and excited states of LiAr
n
(n = 1–12) clusters is carried out via the Basin-Hopping method of Wales et al. [J Phys Chem 101, 5111 2; J Chem Phys 285, 1368 3]. The geometries of the ground and ionic states of LiAr
n
clusters were used to determine the energy of the high excited states of the neutral LiAr
n
clusters. The variation of the excited state energies of LiAr
n
clusters as a function of the number of argon atoms shows an approximate Rydberg character, corresponding to the picture
of an excited electron surrounding an ionic cluster core, is already reached for the 3s state. The result of optical transitions calculations shows that the absorption spectral features are sensitive to isomer
structure. It is clearly the case for transitions close to the 2p levels of Li which are distorted by the cluster environment. 相似文献
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In the presence of a catalytic amount of amino acid hydrochloride, trans‐β‐phenylglycidic ester undergoes ring opening with high stereo‐ and regioselectivity when treated with glycine esters. Alkylation of the resulting β‐amino‐α‐hydroxy diesters with benzyl bromide, followed by cyclization to furnish the expected 1,4‐oxazin‐2‐ones, is also described. 相似文献