Výsledky vyhledávání - "Aziz Elkechai"

New insights into the reactivity of the triscyclopentadienyl monothiolate uranium(IV) complexes: CS2 and CO2 insertion and redox properties. A DFT theoretical approach

Autor: Farida Kias, Soraya Abtouche, Anissa Amar, Aziz Elkechai, Abdou Boucekkine, Michel Ephritikhine

Publikováno v: Journal of Organometallic Chemistry
Journal of Organometallic Chemistry, 2023, 992, pp.122692. ⟨10.1016/j.jorganchem.2023.122692⟩

International audience; The structural properties of a series of triscyclopentadienyl monothiolate uranium(IV) complexes [U(Cp)3(SR)] (Cp = η5–C5H5; R = Me (1), iPr (2), Ph (3), tBu (4)) as well as their reactions with CO2 or CS2 leading to their

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b7ceceac54b0543643f5cf7b462944f8
https://univ-rennes.hal.science/hal-04095863

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Two-photon absorption of dipolar and quadrupolar oligothiophene-cored chromophore derivatives containing terminal dimesitylboryl moieties: a theoretical (DFT) structure–property investigation

Autor: Aziz Elkechai, Frédéric Paul, Anissa Amar, Jean-François Halet, Abdou Boucekkine

Publikováno v: New Journal of Chemistry
New Journal of Chemistry, 2021, 45 (33), pp.15074-15081. ⟨10.1039/d1nj01467f⟩
New Journal of Chemistry, Royal Society of Chemistry, 2021, 45, pp.15074-15081. ⟨10.1039/d1nj01467f⟩

International audience; A series of dipolar and quadrupolar dimesitylboryl (BMes(2)) derivatives containing different thiophene oligomers as the central conjugated bridge to which BMes(2) substituents are appended at both ends have been investigated

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7f49f5c10d2712a564d90ea0ba035b4c
https://doi.org/10.1039/d1nj01467f

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C F bond breaking by bare actinide monocations in the gas phase: a relativistic DFT study

Autor: Farida Kias, Abdou Boucekkine, Fatiha Talbi, Aziz Elkechai

Publikováno v: Computational and Theoretical Chemistry
Computational and Theoretical Chemistry, Elsevier, 2017, 1118, pp.133-143. ⟨10.1016/j.comptc.2017.09.002⟩
Computational and Theoretical Chemistry, 2017, 1118, pp.133-143. ⟨10.1016/j.comptc.2017.09.002⟩

International audience; Investigations of the CF bond activation by actinide monocation An+ (An = Ac, Th, Pa, U, Np, Pu and Am) are carried out using relativistic density functional theory (DFT) computations. Originally, the aim of the study is to co

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8afc86dcaf23df96221cdb5e958e896d
https://doi.org/10.1016/j.comptc.2017.09.002

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Theoretical investigation of the reactivity of bispentamethylcyclopentadienyl uranium(IV) bisthiolate complexes with the heteroallene molecules CS2 and CO2

Autor: Michel Ephritikhine, Farida Kias, Abdou Boucekkine, Aziz Elkechai, Ludovic Castro, Fatiha Talbi

Publikováno v: Journal of Organometallic Chemistry
Journal of Organometallic Chemistry, 2019, 901, ⟨10.1016/j.jorganchem.2019.120947⟩
Journal of Organometallic Chemistry, Elsevier, 2019, 901, ⟨10.1016/j.jorganchem.2019.120947⟩

International audience; The insertion reactions of the bispentamethylcyclopentadienyl bisthiolate uranium(IV) complexes [U(Cp*)(2)(SR)(2)] (Cp* = eta-C5Me5; R = Me (1), Bu-t (2), Pr-i (3), Ph (4)) with CO2 or CS2 were investigated using Density Funct

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e52e171c7ecfb5cfd36e056930c688ca
https://univ-rennes.hal.science/hal-02359979/document

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DFT investigation of methane metathesis with L2AnCH3 actinide complexes catalysts (L = Cl, Cp, Cp*; An = Ac, Th, Pa, U, Np, Pu)

Autor: Farida Kias, Abdou Boucekkine, Claude Daul, Aziz Elkechai, Fatiha Talbi, Fazia Talbi-Ingrachen

Publikováno v: Computational and Theoretical Chemistry
Computational and Theoretical Chemistry, 2018, 1138, pp.123-134. ⟨10.1016/j.comptc.2018.06.009⟩
Computational and Theoretical Chemistry, Elsevier, 2018, 1138, pp.123-134. ⟨10.1016/j.comptc.2018.06.009⟩

International audience; In order to understand the catalytic activity of the actinide complexes L2AnCH3 (An = Ac, Th, Pa, U, Np and Pu; L = Cl, Cp and Cp∗) towards the activation of the C–H bond of methane, relativistic ZORA/DFT investigations ha

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9fa0150bf75642d890347eedc6886926
https://univ-rennes.hal.science/hal-01835015/document

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Redox Properties of Monocyclooctatetraenyl Uranium(IV) and (V) Complexes: Experimental and Relativistic DFT Studies

Autor: Michel Ephritikhine, Fatiha Talbi, Farida Kias, Aziz Elkechai, Didier Hauchard, Abdou Boucekkine, Jean-Claude Berthet

Publikováno v: Organometallics
Organometallics, 2017, 36 (19), pp.3841-3853. ⟨10.1021/acs.organomet.7b00585⟩
Organometallics, American Chemical Society, 2017, 36 (19), pp.3841-3853. ⟨10.1021/acs.organomet.7b00585⟩

International audience; The redox properties of a series of mono(cyclooctatetraenyl) uranium(IV) and (V) complexes [(Cot)(Cp)U(NEt2)2] (1) (Cot = η-C8H8, Cp = η-C5H5) [(Cot)U(OiPr)3] (2), [(Cot)U(NMe2)3] (3), [(Cot)U(N{SiMe3}2)2] (4), [(Cot)U(NEt2)

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0177763bea554d9d412dc065fbda55f6
https://cea.hal.science/cea-01593500/document

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Comprehensive approach to simulate vibrationally resolved phosphorescence spectra of gold(III) complexes using DFT including temperature effects

Autor: Camille Latouche, Abdou Boucekkine, D. Hammoutène, Aziz Elkechai, Emmanuel Fritsch, Hayat Ayache

Publikováno v: Theoretical Chemistry Accounts: Theory, Computation, and Modeling
Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2017, 136 (9), pp.108. ⟨10.1007/s00214-017-2135-6⟩
Theoretical Chemistry Accounts: Theory, Computation, and Modeling, Springer Verlag, 2017, 136 (9), pp.108. ⟨10.1007/s00214-017-2135-6⟩

International audience; The present paper reports on a full quantum investigation of the optical properties of six Au(III) luminescent complexes. Among others, the most striking result concerns the reproduction of the luminescent spectra of two key c

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3d12d06b994f94bc102511687191afc1
https://univ-rennes.hal.science/hal-01614776

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Electron affinities of biscyclopentadienyl and phospholyl uranium(IV) borohydride complexes: Experimental and DFT studies

Autor: Caroline Clappe, Aziz Elkechai, Lotfi Belkhiri, Didier Hauchard, Abdou Boucekkine, Michel Ephritikhine

Publikováno v: Comptes Rendus. Chimie
Comptes Rendus. Chimie, Académie des sciences (Paris), 2010, 13 (6-7), pp.860-869. ⟨10.1016/j.crci.2010.05.009⟩
Comptes Rendus. Chimie, 2010, 13 (6-7), pp.860-869. ⟨10.1016/j.crci.2010.05.009⟩

Electron affinities (EAs) of a series of biscyclopentadienyl and phospholyl uranium(IV) complexes L 2 U(BH 4 ) 2 [L 2 = Cp 2 , (tmp) 2 , (tBuCp) 2 , (Cp*)(tmp) and Cp* 2 ] related to the U(III)/U(IV) redox system were calculated using relativistic De

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::de17c415443a5673b12d65e5d84dff96
https://doi.org/10.1016/j.crci.2010.05.009

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Density Functional Theory Investigation of the Redox Properties of Tricyclopentadienyl- and Phospholyluranium(IV) Chloride Complexes

Autor: Michel Ephritikhine, Aziz Elkechai, Yamina Mani, Abdou Boucekkine

Publikováno v: Inorganic Chemistry
Inorganic Chemistry, 2012, 51 (12), pp.6943-6952. ⟨10.1021/ic300811m⟩
Inorganic Chemistry, American Chemical Society, 2012, 51 (12), pp.6943-6952. ⟨10.1021/ic300811m⟩

The redox behavior of tricyclopentadienyl- and phospholyluranium(IV) chloride complexes L(3)UCl with L = C(5)H(5) (Cp), C(5)H(4)Me (MeCp), C(5)H(4)SiMe(3) (TMSCp), C(5)H(4)(t)Bu ((t)BuCp), C(5)Me(5) (Cp*), and C(4)Me(4)P (tmp), has been investigated

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9cde1dadd09ab8e105f9c305277edb16
https://hal.science/hal-00859680

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A relativistic DFT study of the electron affinity of the biscyclopentadienyl uranium complexes Cp∗2UX2

Autor: Didier Hauchard, Samir Meskaldji, Lotfi Belkhiri, Mohand Amarouche, Michel Ephritikhine, Abdou Boucekkine, Delphine Bouchet, Caroline Clappe, Aziz Elkechai

Publikováno v: Journal of Molecular Structure: THEOCHEM
Journal of Molecular Structure: THEOCHEM, Elsevier, 2010, 954 (1-3), pp.115-123. ⟨10.1016/j.theochem.2010.02.007⟩
Journal of Molecular Structure: THEOCHEM, 2010, 954 (1-3), pp.115-123. ⟨10.1016/j.theochem.2010.02.007⟩

International audience; Electron affinities (EA) of a series of biscyclopentadienyl uranium complexes Cp∗2UX2 (X2 = (BH4)2, Me2, (NEt2)Cl and (OEt)2) related to the U(III)/U(IV) redox system were calculated using Density Functional Theory (DFT) in

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::90f32ee1cade03886dd69c28b3aa08f0
https://hal.archives-ouvertes.fr/hal-00860905

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