Search Results - "Essalah, K."

DFT study of isomers of the ruthenium dihydride complex RuH2(CO)2(AsMe2Ph)2 by Said, R. Ben, Essalah, K., Sanhoury, M. A. K., Hussein, K., Boughdiri, S., Chermette, H.

“…A density functional theory (DFT) study of cct-As , ccc , and cct-CO isomers of the ruthenium dihydride complex RuH 2 (CO) 2 (AsMe 2 Ph) 2 is reported (see…”
Get full text

DFT and Ab Initio calculations of spectroscopic properties of tetramethyltin and of its cation by Dhouib, A., Abderrabba, M., Essalah, K., Brites, V., Hochlaf, M.

“…DFT and ab initio calculations are performed on tetramethyltin (SnMe4, TMSn) and its cation. A set of spectroscopic constants for both species are derived…”
Get full text

Tris(dialkylamino)phosphine Chalcogenide Complexes of Tin(IV) Chloride: A Multinuclear (31P, 77Se, and 119Sn) NMR Characterization by Dhia, M. T. Ben, Sanhoury, M. A. K., Essalah, K., Khaddar, M. R.

“…Four octahedral complexes of the type SnCl 4 .2L [L = (R 2 N) 3 P(E): E = Se; R = Me(1), Et(2) and E = S; R = Me(3), Et(4)] have been studied in solution by…”
Get full text

Synthesis, crystal structure, vibrational spectroscopy, DFT, optical study and thermal analysis of a new stannate(IV) complex based on 2-ethyl-6-methylanilinium (C9H14N)2[SnCl6] by Feddaoui, I., Abdelbaky, Mohammed S.M., García-Granda, S., Essalah, K., Ben Nasr, C., Mrad, M.L.

“…The new organic-inorganic compound, (C9H14N)2[SnCl6], has been synthesized and characterized by single-crystal X-ray diffraction at room temperature…”
Get full text

Crystal structure, Hirshfeld surfaces computational study and physicochemical characterization of the hybrid material (C7H10N)2[SnCl6]·H2O by BelhajSalah, S., Abdelbaky, Mohammed S.M., García-Granda, Santiago, Essalah, K., Ben Nasr, C., Mrad, M.L.

“…A novel hybrid compound, bis(4-methylanilinium)hexachlorostannate(IV) monohydrate, formulated as (C7H10N)2[SnCl6]·H2O, has been prepared and characterized by…”
Get full text

Synthesis, crystal structure, vibrational, optical properties, thermal analysis and theoretical study of a new Sn(IV) complex (C5H14N2)2[SnCl6]2·5H2O by BelhajSalah, S., Abdelbaky, M.S.M., García-Granda, S., Essalah, K., Ben Nasr, C., Mrad, M.L.

“…In this study, a new organic-inorganic hybrid metal compound (C5H14N2)2[SnCl6]2·5H2O was crystallized at room temperature in the orthorhombic system (space…”
Get full text

Synthesis, crystal structure, physico-chemical characterization and theoretical study of a new Pb(II) complex [C10H22N2]3·PbCl5·3Cl·3H2O by Feddaoui, I., Abdelbaky, Mohammed S.M., García-Granda, Santiago, Essalah, K., Ben Nasr, C., Mrad, M.L.

“…A novel hybrid material, [C10H22N2]3·PbCl5·3Cl·3H2O, has been synthesized and its structure was determined by single-crystal X-ray diffraction. In the atomic…”
Get full text

DFT study of isomers of the ruthenium dihydride complex RuH 2 (CO) 2 (AsMe 2 Ph) 2 by Said, R Ben, Essalah, K, Sanhoury, M A K, Hussein, K, Boughdiri, S, Chermette, H

“…A density functional theory (DFT) study of cct-As, ccc, and cct-CO isomers of the ruthenium dihydride complex RuH (CO) (AsMe Ph) is reported (see Scheme for…”
Get full text

Diels–Alder reaction of β-chloro-α,β-unsaturated aldehydes with cyclopentadiene: an experimental and theoretical study by Barhoumi-Slimi, Thouraya M., Essalah, K., Sanhoury, M. A. K., Ourévitch, M., El Gaied, M. M.

“…The Diels–Alder cycloaddition reactions of four β-chloro-α,β-unsaturated aldehydes 1–4 with cyclopentadiene were carried out. Only two of these aldehydes ( 3…”
Get full text

Synthesis, spectroscopic and structural studies of 2,2,2-trifluoroethyl phosphorodiamidate complexes with tin(IV) chloride by Sanhoury, M.A.M.K., Ben Dhia, M.T., Essalah, K., Guesmi, A., Khaddar, M.R.

“…The two octahedral complexes SnCl 4 · 2(O)P(NR 2) 2OCH 2CF 3 (R = Me ( 1) or Et ( 2)) have been prepared and studied by a combination of experimental NMR and…”
Get full text

Phosphoramidic difluoride complexes of tin(IV) chloride: A multinuclear ( 119Sn, 31P, 19F and 1H) NMR characterisation in solution by Sanhoury, M.A.M.K., Ben Dhia, M.T., Essalah, K., Khaddar, M.R.

“…Two new octahedral complexes of the type SnCl 4 · 2(O)PF 2NR 2 (R = Me ( 1) or Et ( 2)) were prepared and characterised by multinuclear NMR spectroscopy,…”
Get full text

Theoretical study of Diels-Alder reactions between cyclopentadiene and 2-aryl-4,6-dinitrobenzotriazole 1-oxides by Ayadi, S., Essalah, K., Abderrabba, M.

Get full text

9-BBN activation. Synthesis, crystal structure and theoretical characterization of the ruthenium complex Ru[(μ-H) 2BC 8H 14] 2(PCy 3) by Essalah, Khaled, Barthelat, Jean-Claude, Montiel, Virginia, Lachaize, Sébastien, Donnadieu, Bruno, Chaudret, Bruno, Sabo-Etienne, Sylviane

“…Reaction of the bis(dihydrogen) ruthenium complex RuH 2(H 2) 2(PCy 3) 2 ( 1) with an excess of 9-borabicyclononane yields Ru[(μ-H) 2BC 8H 14] 2(PCy 3) ( 6) and…”
Get full text

DFT study of allylic and aliphatic alcohols reactivity: Transesterification and alkylation reactions by Boughdiri, S., Essalah, K.

“…The reactions of allylic and aliphatic alcohols with ethyl acetoacetate have been investigated at the DFT/B3LYP level using 6-311G(d) basis set. Analysis…”
Get full text

Gyroscopic tensor ab initio calculation of the molecular crystals: (Mo6X14)2−Y−(TTF+)3 (X=Br, Cl and Y=Br, Cl, I) by Dhouib, A., Essalah, K., Tangour, B., Abderraba, M.

“…The aim of this study is the determination of the g tensor of the tetrathiafulvalene (TTF) molecule involved in chlorine and bromine radical–ion salts. This…”
Get full text

Tin tetrachloride adducts with phosphoryl ligands: A DFT study by Essalah, K., Sanhoury, M.A., Ben Dhia, M.T., Abderrabba, M., Khaddar, M.R.

“…Tin tetrachloride adducts of the type SnCl 4·2L (L = (Me 2N) 3P(O) ( 1), (Me 2N) 2P(O)F ( 2), Me 2NP(O)F 2 ( 3) and P(O)F 3 ( 4)) have been theoretically…”
Get full text

A DFT study of monophosphate complexes of iron (III) Fe(H2PO4)(H2O)m2+ (m=3, 4, 5) by Dhouib, A., Essalah, K., Tangour, B., Abderrabba, M.

Get full text

A DFT study of monophosphate complexes of iron (III) Fe(H 2PO 4)(H 2O) m 2+ ( m=3, 4, 5) by Dhouib, A., Essalah, K., Tangour, B., Abderrabba, M.

“…A systematic theoretical DFT study of the bonding between the cation Fe 3+ and the anion H 2PO 4 − was carried out. By interesting in tetrahedral, bipyramidal…”
Get full text