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Bazzi Aicha Abbiche Khalid Izzaouihda Safia Acharjee Nivedita Zejli Hanane Marakchi Khadija Komiha Najia El Issami Souad Bazzi Lahcen Hilali Mustapha 《Structural chemistry》2021,32(6):2183-2198
Structural Chemistry - A combined experimental and theoretical study is presented to predict and analyze the inhibition efficiency and adsorption mechanism of 4-aminobenzoic acid molecule for... 相似文献
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We present a development of the Hamiltonian, dipole moment, and polarizability operators for XY3Z molecules. These rovibrational operators are written with the aid of a tensorial formalism derived from the one already used in Dijon and adapted to the XY3Z symmetric tops in a recent paper [A. El Hilali, V. Boudon, M. Loëte, J. Mol. Spectrosc. 234 (2005) 166-174]. We use the O (3) ⊃ C∞v ⊃ C3v group chain. Expressions for the matrix elements are derived for these operators. 相似文献
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A El-Dissouky A A El-Bindary A Z El-Sonbati A S Hilali 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2001,57(6):1163-1170
The synthesis of several new coordination compounds of dioxouranium(VI) heterochelates with bidentate rhodanineazol compounds derived from rhodanine are described. The ligands and uranyl complexes have been charcaterized by various physico-chemical techniques. The bond lengths and the force constants have been calculated from asymmetric stretching frequency of O-U-O group. The infrared spectral studies showed a monobasic bidentate behaviour with the oxygen and azonitrogen donor system. The ligands contain intramolecular hydrogen bonds. 相似文献
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The electrochemical behaviour of cefminox in phosphate buffers solutions over pH range 2.0-9.0 using differential-pulse polarography, DC-tast polarography, cyclic voltammetry and linear sweep voltammetry (staircase) has been studied. In acidic media, a non reversible diffusion-controlled reduction involving two electrons occurs and the mechanism for the reduction was suggested. A differential-pulse polarographic method for the determination of cefminox in the concentration range 5.8×10−6-6.0×10−5 M with a detection limit of 1.76×10−6 M was proposed. Also, a method based on controlled adsorptive pre-concentration of cefminox on the hanging mercury drop electrode followed by linear sweep voltammetry, allows its determination in the concentration range 8.3×10−8-1.5×10−6 M with a detection limit of 2.47×10−8 M. These methods have been used for the direct determination of cefminox in human urine with recoveries between 98 and 103%, and precision around ±2%. 相似文献
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A tensorial formalism adapted to the case of XY3Z symmetric tops has been developed. We use the O (3) ⊃ C∞v ⊃ C3v group chain. All the coupling coefficients and formulas for the computation of the matrix elements are given for this chain. Such relations are also deduced in C3v group itself. 相似文献
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With the growing interest in more environmentally friendly solvents and processes, the introduction of Natural Deep Eutectic Solvents (NaDES) as low cost, non-toxic and biodegradable solvents represent a new opportunity for green and sustainable chemistry. Thanks to their remarkable advantages, NaDES are now arousing growing interest in many fields of research such as food, health, cosmetics and biofuels. Around the world, NaDES are seen as a promising alternative to commonly used petrochemical solvents. The objective of this review is to draw up a panorama of the existing skills on NaDES in French laboratories and industries for the valuation of natural products. This review therefore focuses on current applications, skills and perspectives, in order to analyze the place of French research in the use of NaDES for the valorization of biomass since 2015. 相似文献
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We present a development of the Hamiltonian and transition moment operators of XY3Z (C3v) symmetric tops molecules in a degenerate electronic state with the aid of a tensorial formalism developed in a recent paper [A. El Hilali, V. Boudon, M. Loëte, J. Mol. Spectrosc. 239 (2006) 41-50]. Electronic operators are defined from group theory properties. They provide a new approach to build an effective rovibronic Hamiltonian as well as an effective dipole moment operator for rovibronic transition of XY3Z molecules. This model is studied qualitatively thanks to the tensorial algebra properties. Expressions of the matrix elements are derived for these operators. A first simple application to the ground electronic state of CH3O is proposed as an illustrative example. 相似文献
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An analysis of the torsional spectrum of monodeuterated methanol CH(2)DOH is presented. Twenty nine torsional subbands have been assigned in the 20-800 cm(-1) region. The newly assigned subbands and those already available in the literature were analyzed with a theoretical approach accounting for internal rotation of an asymmetrical CH(2)D methyl group. Seventy six subband centers were reproduced with an rms value of 0.09 cm(-1). Spectroscopic parameters corresponding to the generalized inertia tensor and to the hindering potential were determined as well as rotation-torsion distortion constants. 相似文献