Comptes Rendus Chimie Journal Impact Factor & Information

Publisher: Académie des sciences (France), Elsevier Masson

Journal description

Articles in English and French with Abridged English Version. Les Comptes Rendus Chimie publient depuis 1998 des travaux de recherches originaux (notes, mémoires courts) et des articles de synthèses (mises au point, chroniques historiques) dans tous les domaines de la chimie (organique, inorganique, bio-organique, bioinorganique, organométallique, physique, état solide...).

Current impact factor: 1.71

Impact Factor Rankings

2015 Impact Factor Available summer 2016
2014 Impact Factor 1.713
2013 Impact Factor 1.483
2012 Impact Factor 1.92
2011 Impact Factor 1.803
2010 Impact Factor 1.6
2009 Impact Factor 1.58
2008 Impact Factor 1.529
2007 Impact Factor 1.305
2006 Impact Factor 1.145
2005 Impact Factor 1.577
2004 Impact Factor 1.156
2003 Impact Factor 0.518
2002 Impact Factor

Impact factor over time

Impact factor

Additional details

5-year impact 1.78
Cited half-life 6.40
Immediacy index 0.29
Eigenfactor 0.00
Article influence 0.39
Website Comptes Rendus Chimie website
Other titles Comptes rendus. Chimie, Chimie
ISSN 1631-0748
OCLC 49353720
Material type Periodical, Internet resource
Document type Journal / Magazine / Newspaper, Internet Resource

Publisher details

Elsevier Masson

  • Pre-print
    • Author can archive a pre-print version
  • Post-print
    • Author can archive a post-print version
  • Conditions
    • Authors pre-print on any website, including arXiv and RePEC
    • Author's post-print on author's personal website immediately
    • Author's post-print on open access repository after an embargo period of between 12 months and 48 months
    • Permitted deposit due to Funding Body, Institutional and Governmental policy or mandate, may be required to comply with embargo periods of 12 months to 48 months
    • Author's post-print may be used to update arXiv and RepEC
    • Publisher's version/PDF cannot be used
    • Must link to publisher version with DOI
    • Author's post-print must be released with a Creative Commons Attribution Non-Commercial No Derivatives License
    • Publisher last reviewed on 01/05/2015
    • 'Elsevier Masson' is an imprint of 'Elsevier'
  • Classification
    ​ green

Publications in this journal

  • [Show abstract] [Hide abstract]
    ABSTRACT: The structural, electro-optical and charge-transport properties of compound trans-3-(3,4-dimethoxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile (DMNPN) were studied using quantum chemical methods. The neutral, cation and anion molecular geometries were optimized in the ground state using density functional theory (DFT) at the restricted and unrestricted B3LYP/6-31G** level of theory. The excited state geometries were optimized by applying time-dependent DFT at the TD-B3LYP/6-31G** level of theory. The absorption and fluorescence wavelengths were calculated at the TD-CAM-B3LYP/6-31G** and TD-LC-BLYP/6-31G** levels of theory. The distribution pattern of the charge densities on the highest occupied molecular orbitals (HOMOs) and lowest unoccupied molecular orbitals (LUMOs) are discussed. Intramolecular charge transfer was observed from the dimethoxyphenyl to (nitrophenyl)prop-2-enenitrile moieties. The detailed charge-transport behavior of the DMNPN molecule is investigated based on its ionization potential, electron affinity, hole and electron reorganization energies, hole and electron-transfer integrals, and hole and electron intrinsic mobilities. The total/partial densities of states and structure–property relationship are discussed in detail. The higher computed hole intrinsic mobility than electron intrinsic mobility reveals that DMNPN is an efficient hole-transport material.
    Comptes Rendus Chimie 09/2015; DOI:10.1016/j.crci.2015.05.020
  • [Show abstract] [Hide abstract]
    ABSTRACT: Cu(I)-Catalyzed 1,3 dipolar cycloaddition between chiral nitrone and terminal alkynes under microwave irradiation afforded a series of enantiopure aziridines with the creation of two contiguous stereogenic centers.
    Comptes Rendus Chimie 09/2015;
  • [Show abstract] [Hide abstract]
    ABSTRACT: A theoretical study was performed on the [3+2] cycloaddition (32CA) reaction between benzonitrile sulfide BNS1 and trichloroacetonitrile TCAN2 at the MPWB1K/6-311G(d) level. Among two feasible C1-N5 and C1-C4 regioisomeric channels, in the presence of toluene, the former is completely preferred over the latter both kinetically, ∆∆Gactivation= 17.5 kcal/mol, and thermodynamically, ∆∆Greaction= -12.8 kcal/mol, in excellent agreement with experimental outcomes. The strong global electrophilic and nucleophilic characters found for TCAN2 and BNS1, respectively, allow the studied 32CA reaction take place via a polar process. Interestingly, analysis of TSs geometries clarifies that in the case under study regioselectivity is controlled by destabilizing steric repulsion interactions rather than the electronic ones. The ELF topological patterns indicate that while the formation of S3-C4 single bond takes place exactly according to the Domingo’s model, formation of C1-N5 single bond is a direct consequence of nucleophilic attack of C5 carbon atom on the N5 nitrogen atom supporting a two-stage one-step molecular mechanism.
    Comptes Rendus Chimie 09/2015; DOI:10.1016/j.crci.2015.09.003
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    ABSTRACT: A simple biomolecule-inspired chemical procedure was adopted for the successful synthesis of cadmium sulphide nanoparticles (CdS-G and CdS-M) using glucose and maltose as capping agents. These nanoparticles were characterized by X-ray diffraction (XRD), Scanning Electron Microscopy (SEM), Transmission Electron Microscopy (TEM), Energy dispersive X-ray (EDAX) and Ultraviolet-Visible (UV–Vis) spectroscopy in order to evaluate their particle size, morphology, and optical properties. The photocatalytic degradation of methylene blue (MB) by CdS-G and CdS-M nanoparticles under visible light was estimated and the kinetics of photocatalytic degradation were compared by the evaluation of operational parameters viz., an amount of the photocatalyst, the pH of the solution, and concentration of the dye. The mechanism of generation of hydroxyl radicals on the surface of the CdS-G/M nanoparticles upon visible-light irradiation was confirmed by the terephthalic acid photoluminescence technique. The study of the effect of tert-butyl alcohol (TBA) and of a disodium salt of ethlyenediamine tetraacetic acid (EDTA-2Na) as scavengers, as well as photoluminescence measurements, revealed that HO• and hole (h+) were the reactive species responsible for the degradation of MB. The anthelmintic activity of CdS-G/M nanoparticles was also evaluated.
    Comptes Rendus Chimie 07/2015;
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    ABSTRACT: The purpose of this review is to analyze the different reaction mechanisms of the H/D exchange on organic substrates catalyzed by transition metal complexes in homogeneous phase. The metal-catalyzed H/D exchange is a multifaceted reaction whose mechanism depends strongly on the reaction conditions and on the metal complex used as a catalyst. It is possible to group the different mechanisms into three main families depending on the “role” and behavior of the catalyst: (i) Lewis acid–base catalysis; (ii) CH activation (iii) insertion/β-elimination. For each macro-group, several representative examples are discussed and critically evaluated in order to provide the reader with keys to the understanding of how the different catalytic systems act and how their modification may affect their performance in terms of activity and selectivity. This knowledge is fundamental for designing improved organometallic H/D catalysts for labeling organic products in greener conditions with more cost-effective processes.
    Comptes Rendus Chimie 06/2015; 46(36). DOI:10.1016/j.crci.2015.02.006
  • [Show abstract] [Hide abstract]
    ABSTRACT: The subject of carbon acids activated by two sulfonyl groups is reviewed. It will be shown that the studied compounds are relatively strong acids that have their importance in organic chemistry. The structure and reactivity of the products of the deprotonation reaction are also described. Structural studies using X-ray and spectroscopic methods such as IR, NMR or MS give more information about their proton donor properties. They are supplemented by charge distribution research in these carbanions using empirical evaluation and electron density ab initio calculation. A comparison of the results obtained for the title compounds with data obtained for other carbon acids activated by nitro or cyano groups is presented.
    Comptes Rendus Chimie 06/2015; DOI:10.1016/j.crci.2014.12.008
  • [Show abstract] [Hide abstract]
    ABSTRACT: A series of mononuclear Cu(I)–halide complexes, [CuX(PPh3)2(L)] (X = Cl−, Br−, I−; PPh3 = triphenylphosphine; L = pyridine (py), isoquinoline (iq), 1,6-naphthyridine (nap)), were synthesized. The emission color of [CuX(PPh3)2(L)] varies from blue to red by changing the L ligands and the halide ions, and all the complexes exhibit high emission quantum yields (0.16–0.99) in the crystals. The emission studies revealed that the emissive states of [CuX(PPh3)2(L)] differ depending on the L ligand. Complexes [CuX(PPh3)2(py)] and [CuX(PPh3)2(nap)] mainly emit from the singlet metal-to-ligand charge transfer mixed with the halide-to-ligand charge transfer (1(M + X)LCT) state at room temperature. In contrast, emissions from [CuX(PPh3)2(iq)] at room temperature originate from both 3(M + X)LCT and 3ππ* states. These results indicate that N-heteroaromatic ligands play an important role in the emission properties of mononuclear Cu(I)–halide complexes.
    Comptes Rendus Chimie 06/2015; 18(7). DOI:10.1016/j.crci.2015.03.003
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    ABSTRACT: We defined the smallest enclosing cone angle as the Tolman cone angle for null atomic spheres radii. Then we provide a simple analytical algorithm to compute the smallest enclosing cone at fixed apex, which works in the case of unsymmetrical ligand. We applied it to compute ligand cones for a family of triphenylphosphine palladium complexes, and we showed that both the angle of the cone and its resulting solid angle strongly correlate with the Tolman cone angle, thus suggesting that there is no more need for atomic radii. We also defined the best cone of fixed apex fitting a population of unit vectors. We proposed a simple analytical algorithm to compute it, which is proved to work in any d-dimensional Euclidean space. We defined the conicity index κ to evaluate quantitavely the pertinence of the best fitting cone. We used this best fit cone to define a mean ligand cone, and thus a mean cone angle and a mean cone axis. We applied it to our family of triphenylphosphine palladium complexes and we observed that the axis of the individual cones deviated from the mean cone axis by at most 13.2°. The observed conicity index was small , indicating a very good fit for the whole family of complexes.
    Comptes Rendus Chimie 05/2015; 18(6). DOI:10.1016/j.crci.2015.04.004
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    ABSTRACT: A novel protonated polymeric tpphz ligand along with as a counterion, {[H2tpphz][CoCl4]}n (where tpphz = tetrapyrido[3,2-a:2’,3’-c:3”,2”-h:2”’,3”’-j] phenazine), has been synthesized and characterized by elemental analysis, Fourier transform infrared spectroscopy (FT-IR), Scanning Electron Microscopy (SEM), and single-crystal X-ray diffraction analysis. The compound crystallizes in the monoclinic system with space group C 1 2/c 1 (No. 15). The crystal structure showed a layered structure based on an uncoordinated cobalt ion, and the planar heterocyclic H2tpphz2+ ion and different types of hydrogen bonds together with π···π and C–H···π stacking are dominant. The experimental studies on the compounds have been accompanied computationally by Density Functional Theory (DFT) calculations.
    Comptes Rendus Chimie 05/2015; 18(6). DOI:10.1016/j.crci.2014.11.006
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    ABSTRACT: An efficient, rapid and green synthesis of α,α′-bis(substituted-benzylidene)cycloalkanones and their xanthene derivatives is reported under solvent-free conditions using nano titania-supported sulfonic acid (n-TSA) as a reusable catalyst. This method offers many advantages, such as environmental friendliness reaction conditions, simplicity, short reaction times, easy work-up, reusability of catalyst, and high yields of products. Eight new compounds are reported too.
    Comptes Rendus Chimie 05/2015; DOI:10.1016/j.crci.2014.11.003
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    ABSTRACT: Apatites with the chemical formula Sr7−xCaxLa3(PO4)3(SiO4)3F2, where x = 0, 1 and 2, were prepared by mechanochemical synthesis using a planetary mill. However, the obtained apatites were carbonated. For comparison, the compound with x = 0 was synthesized by a solid-state reaction at 1300 °C. To determine the influence of the synthesis method on the distribution of the lanthanum between the two cationic sites, a refinement by the Rietveld method was carried out on the latter compound, obtained by the two synthesis methods. This study shows that lanthanum was preferentially located in the sites Me(1) when mechanochemical synthesis was used, while it has a marked preference for the sites Me(2) when heat treatment was used. In addition, the electrical properties of the compound were investigated by impedance spectroscopy. The main result is that the Arrhenius plot presents a change in slope. This break has been related to the nature of the Sr/La–F bond.
    Comptes Rendus Chimie 05/2015; DOI:10.1016/j.crci.2014.11.011
  • [Show abstract] [Hide abstract]
    ABSTRACT: Different gases were employed to pretreat WO3/SiO2 for the metathesis of 1-butene and ethene to propene. Air-pretreated WO3/SiO2 was inactive, whereas N2-, N2/H2-, and H2-pretreated WO3/SiO2 exhibited high 1-butene conversion and propene selectivity. Tetragonal WO3 and partially reduced WO2.92 were found to be the active phases/species, whereas monoclinic WO3 was inactive. N2/H2- and H2-pretreated WO3/SiO2 contained both W6+ and W5+ species (i.e., nonstoichiometric WO3−x). Air- and N2-pretreated WO3/SiO2 only contained monoclinic W6+ species (WO3) before the reaction. However, the used N2-pretreated WO3/SiO2 contained both W6+ and W5+ species, suggesting that the N2 pretreatment can facilitate the formation of some W5+ species during the reaction. This in situ partial reduction can activate the N2-pretreated WO3/SiO2 for the metathesis.
    Comptes Rendus Chimie 05/2015; 18(6):in press. DOI:10.1016/j.crci.2014.11.008
  • [Show abstract] [Hide abstract]
    ABSTRACT: A simple, efficient, and ecofriendly procedure for the aerobic oxidation of alcohols to aldehydes and ketones in the presence of In(NO3)3/[C12mim][FeBr4] in aqueous media has been developed. The oxidation reactions afford the target products in good to high yields and no over-oxidation was observed. The products can be separated by a simple extraction with dichloromethane, and the system can be recycled and reused without loss of activity. © 2014 Academie des sciences. Published by Elsevier Masson SAS. All rights reserved.
    Comptes Rendus Chimie 05/2015; 18(6). DOI:10.1016/j.crci.2014.11.002
  • [Show abstract] [Hide abstract]
    ABSTRACT: The benign synthesis of two new carboxamide ligands L1 = 1,2-bis(2-hydroxybenzamido)-4,5-dimethylbenzene (H4Me2hybeb) and L2 = 1,2-bis(2-hydroxy-3-naphthamido)-4,5-dimethylbenzene (H4Me2hyneb) from unprotected hydroxyaromatic carboxylic acids and the electrochemical synthesis of their mixed valance tetranuclear cobalt complexes, [Co4(μ3-OH)2(μ2-Me2hybeb)2(CH3CN)6] (1), and [Co4(μ3-OH)2(μ2-Me2hyneb)2(CH3CN)6] (2) by electrochemical oxidation of cobalt metal in acetonitrile solution is reported. The carboxamide ligands act as tetraanionic tetradentate ligands. The crystal structures of the two ligands L1 and L2 and of complex 1 have been determined in detail by X-ray crystallography. Complexes 1 and 2 consist of discrete mixed valence (Co2II–Co2III) defective dicubane molecular units, where each cobalt atom attains a distorted octahedral geometry.
    Comptes Rendus Chimie 05/2015; 18(6). DOI:10.1016/j.crci.2014.11.001