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Palladium and copper complexes with oxygen-nitrogen mixed donors as efficient catalysts for the Heck reaction
, Article Inorganica Chimica Acta ; Volume 383 , 2012 , Pages 46-51 ; 00201693 (ISSN) ; Amini, M ; Ellern, A ; Keith Woo, L ; Sharif University of Technology
2012
Abstract
A simple bidentate ligand, 2-(2′-hydroxyphenyl)-5,6-dihydro-1,3- oxazine, was readily prepared with a two-step synthesis. Two novel complexes of Pd(II) and Cu(II) with this (N,O) oxazine ligand have been prepared and the molecular structures of these complexes have been confirmed by X-ray structure analysis, NMR, IR and UV-Vis spectroscopy. These complexes efficiently catalyze the Heck reaction of aryl halides with olefins at 120 °C in 8 h. The reaction conditions for the Heck coupling of iodobenzene with styrene was optimized by varying the amount of the catalyst, reaction temperature, solvent and exogenous base
Diastereoselective synthesis and catalytic activity of two chiral cis-dioxidomolybdenum(VI) complexes
, Article European Journal of Inorganic Chemistry ; Volume 2018, Issue 22 , 15 June , 2018 , Pages 2549-2556 ; 14341948 (ISSN) ; Zwettler, N ; Golbaghi, G ; Belaj, F ; Bagherzadeh, M ; Schachner, J. A ; Mosch Zanetti, N. C ; Sharif University of Technology
Wiley-VCH Verlag
2018
Abstract
Two enantiomerically pure chiral dioxidomolybdenum(VI) complexes (1 and 2) of the type [MoO2L] (L = dianionic, tetradentate ONNO-ligand) were synthesized and investigated in enantioselective oxidation reactions. The solid-state structures of complex 1 and 2, determined via single-crystal X-ray diffraction analysis revealed two fundamentally different coordination geometries: a C1-symmetric cis-β isomer (Λ-1), and a C2-symmetric cis-α isomer (Δ-2). In both cases, only one of the two possible helical enantiomers (Λ- or Δ-helix) was formed. The complexes were examined as precatalysts in the epoxidation of the challenging prochiral substrate trans-stilbene, using either tert-butyl hydroperoxide...
Metal-Organic cubane cage with trimethylplatinum(Iv) vertices
, Article Inorganic Chemistry ; 2021 ; 00201669 (ISSN) ; Jamali, S ; Mahmoudi, S ; Samouei, H ; Nayeri, S ; Chabok, S. M. J ; Jamshidi, Z ; Sharif University of Technology
American Chemical Society
2021
Abstract
Herein we describe the synthesis and characterization of the first platinum(IV) metal-organic cage [(Me3PtIV)8(byp)12](OTf)8 (2), in which the organometallic moieties trimethylplatinum(IV) (PtMe3) occupied the corners of a cubane structure and 4,4′-bipyridine ligands used as linkers. The first-principles density functional theory calculations showed that the highest occupied molecular orbitals were localized on the PtMe3 moieties, while the lowest unoccupied molecular orbitals were distributed on the organic linkers. © 2021 American Chemical Society
Synthesis, Characterization, Crystal Structure Determination and Theoretical Calculations of Some new Adducts of Cu (I) with Nitrogen-Donor and Phosphine Ligands
, M.Sc. Thesis Sharif University of Technology ; Kia, Reza (Supervisor)
Abstract
In the first part, two copper(I) complexes were synthesized as additive products of nitrogen-donor, phosphine and stibine ligands and copper(I) iodide, and in the second part, the triple-core copper(I) complex was synthesized with a phosphine ligand. The synthesized complexes were identified by FT-IR, 1H-NMR, 31P-NMR spectroscopy and the structure of these complexes was investigated using single crystal X-ray diffraction. In addition, the possibility of Cuprophilic interactions using structural parameters, And theoretical studies were reviewed. On the other hand, molecular structure determination allowed us to fully investigate the intramolecular and intermolecular interactions of the...
Intermolecular C-H⋯O and n → π∗ and short intramolecular σ → π∗ interactions in the molybdenum(0) tetracarbonyl complex of a very twisted 14-membered tetraazaannulene macrocyclic ligand: Structural and computational studies
, Article CrystEngComm ; Volume 21, Issue 35 , 2019 , Pages 5222-5226 ; 14668033 (ISSN) ; Hosseini, M ; Abdolrahimi, A ; Mahmoudi, M ; Sharif University of Technology
Royal Society of Chemistry
2019
Abstract
The structural and computational studies of a new molybdenum tetracarbonyl complex of 5,14-dihydro-6,17-dimethyl-8,15-diphenyldibenzo[b,i]-[1,4,8,11]tetraazacyclotetradecine, a 14-membered tetraazaannulene macrocyclic ligand, Me2Ph2H2TAA, were carried out by X-ray crystallography and density functional and natural bond orbital (NBO) theories. The complex showed an interesting intermolecular C-H⋯O hydrogen bond which was supported by n → π∗ interaction, forming a one-dimensional extended chain along the b-axis. Interesting intramolecular C-H⋯π and very short σ → π∗ (C-H⋯CO) interactions stabilized the twisted geometry of the coordinated ligand. © 2019 The Royal Society of Chemistry 2019
Intermolecular C-H⋯O and n → π∗ and short intramolecular σ → π∗ interactions in the molybdenum(0) tetracarbonyl complex of a very twisted 14-membered tetraazaannulene macrocyclic ligand: Structural and computational studies
, Article CrystEngComm ; Volume 21, Issue 35 , 2019 , Pages 5222-5226 ; 14668033 (ISSN) ; Hosseini, M ; Abdolrahimi, A ; Mahmoudi, M ; Sharif University of Technology
Royal Society of Chemistry
2019
Abstract
The structural and computational studies of a new molybdenum tetracarbonyl complex of 5,14-dihydro-6,17-dimethyl-8,15-diphenyldibenzo[b,i]-[1,4,8,11]tetraazacyclotetradecine, a 14-membered tetraazaannulene macrocyclic ligand, Me2Ph2H2TAA, were carried out by X-ray crystallography and density functional and natural bond orbital (NBO) theories. The complex showed an interesting intermolecular C-H⋯O hydrogen bond which was supported by n → π∗ interaction, forming a one-dimensional extended chain along the b-axis. Interesting intramolecular C-H⋯π and very short σ → π∗ (C-H⋯CO) interactions stabilized the twisted geometry of the coordinated ligand. © 2019 The Royal Society of Chemistry 2019
Cycloplatinated(II) complexes containing bridging bis(diphenylphosphino)acetylene: Photophysical study
, Article Journal of Luminescence ; Volume 179 , 2016 , Pages 222-229 ; 00222313 (ISSN) ; Nabavizadeh, S. M ; Sepehrpour, H ; Niroomand Hosseini, F ; Kia, R ; Rashidi, M ; Sharif University of Technology
Elsevier
2016
Abstract
Reaction of the known cycloplatinated (II) complexes [PtAr(C^N)(SMe2)], in which Ar=p–MeC6H4 or p–MeOC6H4 and C^N= 2-phenylpyridinate (ppy) or benzo[h]quinolinate (bhq), with 0.5 equivalent of the bidentate phosphine ligand 1,1′–bis(diphenylphosphino)acetylene, dppac, in acetone at room temperature gave the symmetrical binuclear cycloplatinated(II) complexes [Pt2Ar2(C^N)2(μ–dppac)], 1–4, in which dppac acts as a bridging bidentate ligand. All the complexes were fully characterized using multinuclear (1H, 31P and 195Pt) NMR spectroscopy and the complex [Pt2(p–MeC6H4)2(ppy)2(μ–dppac)], 1, was further identified by single crystal X-ray structure determination. Additional information about the...
Production of a soluble and functional recombinant apolipoproteinD in the Pichia pastoris expression system
, Article Protein Expression and Purification ; Volume 121 , 2016 , Pages 157-162 ; 10465928 (ISSN) ; Kalhor, H. R ; Tabarraei, A ; Sharif University of Technology
Academic Press Inc
Abstract
ApolipoproteinD (ApoD) is a human glycoprotein from the lipocalin family. ApoD contains a conserved central motif of an 8-stranded antiparallel β-sheet, which forms a beta-barrel that can be used for transport and storage of diverse hydrophobic ligands. Due to hydrophobic nature of ApoD, it has been difficult to generate a recombinant version of this protein. In the present work, we aimed at the production of ApoD in the robust Pichia pastoris expression system. To this end, the ApoD gene sequence was synthesized and subcloned for expression in the yeast host cells. Following integration of the ApoD gene into the yeast genomic region using homologous recombination, the ApoD recombinant...
Unique examples of copper(II)/sodium(I) and nickel(II)/sodium(I) Schiff base complexes with bridging bis-bidentate Salen type ligand: Synthesis, crystal structures and antibacterial studies
, Article Inorganica Chimica Acta ; Volume 445 , 2016 , Pages 124-128 ; 00201693 (ISSN) ; Behzad, M ; Amiri Rudbari, H ; Bruno, G ; Ghanbari, B ; Sharif University of Technology
Elsevier S.A
2016
Abstract
Two unique heteronuclear Schiff base complexes of Cu(II), [{Cu(L)Na(ClO4)}2(μ-H2L)] (1) and Ni(II), [{Ni(L)Na(BF4)}2(μ-H2L)] (2) were synthesized and characterized by different spectroscopic methods as well as X-ray crystallography. The Schiff base ligand (H2L) was synthesized from the condensation meso-1,2-diphenyl-1,2-ethylenediamine with 3-methoxysalicylaldehyde. The 3d metal ions in these complexes have been accommodated by the inner N2O2 compartment of the Schiff base ligand, while the O2O′2 outer compartment has accommodated the Na(I) ion (O and O′ denote the phenolic and methoxy oxygen atoms, respectively). Besides, a Schiff base ligand has doubly bridged the M(II)/Na(I) moieties via...
A rare type of Rhenium(I) diimine complexes with unsupported coordinated phosphine oxide ligands: Synthesis, Structural Characterization, Photophysical and theoretical study
, Article European Journal of Inorganic Chemistry ; Volume 2019, Issue 39-40 , 2019 , Pages 4350-4357 ; 14341948 (ISSN) ; Jamali, S ; Pavlovskiy, V. V ; Porsev, V. V ; Evarestov, R. A ; Kisel, K. S ; Koshevoy, I. O ; Shakirova, J. R ; Tunik, S. P ; Sharif University of Technology
Wiley-VCH Verlag
2019
Abstract
This paper presents synthesis and photophysical investigation of a very rare type of the ReI diimine complexes, [Re(diimine)(CO)3(OPR3)]+, R = Ph, Cy; diimine – phenanthroline and neocuproine, containing monodentate (unsupported) phosphine oxide ligands. The obtained compounds have been structurally characterized in solid phase by using XRD crystallography, which revealed unusual distortions in the pseudo octahedral rhenium environment, which may be ascribed to intramolecular interligand (phosphine oxide – diimine) interaction rather than to crystal packing effect. Optimization of the ground state structure of these molecules with the DFT method also confirmed intramolecular origin of the...
A ligand and palladium-free avenue for cyanation of aryl Halides: The art of samarium powder in C–C coupling reaction
, Article ChemistrySelect ; Volume 4, Issue 33 , 2019 , Pages 9618-9621 ; 23656549 (ISSN) ; Pourkaveh, R ; Gholamtajari, M ; Karimi, A ; Sharif University of Technology
Wiley-Blackwell
2019
Abstract
This is the first study of samarium powder catalyzed cyanation reaction of aryl halides, bearing electron-withdrawing and electron-releasing substituents, in the presence of NaCN to afford corresponding benzonitriles in high yields. This protocol takes the advantage of being done in the absence of additive, ligand and precious transition metals such as palladium. © 2019 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim
Targeted synthesis of NIR luminescent rhenium diimine cis,trans-[Re(NN)(CO)2(L)2]n+ complexes containing N-Donor axial ligands: photophysical, electrochemical, and theoretical studies
, Article ChemPlusChem ; Volume 85, Issue 11 , 2020 , Pages 2518-2527 ; Nayeri, S ; Jamali, S ; Porsev, V. V ; Gurzhiy, V. V ; Levin, O. V ; Koshevoy, I. O ; Tunik, S. P ; Sharif University of Technology
Wiley-VCH Verlag
2020
Abstract
The combined action of ultraviolet irradiation and microwave heating onto acetonitrile solution of [Re((Formula presented.))(CO)3(NCMe)]OTf ((Formula presented.) =phenantroline and neocuproine) afforded cis,trans-Re((Formula presented.))(CO)2(NCMe)2]+ acetonitrile derivatives. Substitution of relatively labile NCMe with a series of aromatic N-donor ligands (pyridine, pyrazine, 4,4’-bipyridine, N-methyl-4,4’-bipyridine) gave a novel family of the diimine cis,trans-[Re((Formula presented.))(CO)2(L)2]+ complexes. Photophysical studies of the obtained compounds in solution revealed unusually high absorption across the visible region and NIR phosphorescence with emission band maxima ranging from...
Synthesis of gadolinium(III) and samarium(III) complexes of new potentially heptadentate (N4O3) tripodal Schiff base ligands, and a theoretical study
, Article Polyhedron ; Volume 24, Issue 12 , 2005 , Pages 1478-1486 ; 02775387 (ISSN) ; Nouri, S. M ; Keypour, H ; Bagherzadeh, M ; Sharif University of Technology
2005
Abstract
Two new potentially heptadentate N4O3 Schiff base ligands {N[(CH2)3NCH(2-OH-3,5-t-Bu2C 6H2)]3} (H3L1) and {N[(CH2)3NCH(2-OH-3,5-t-Bu2C6H 2)]2 [(CH2)2-NCH(2-OH-3,5-t-Bu 2C6H2)]} (H3L2) were synthesized and characterized by various spectroscopic methods. The heptadentate N4O3 Schiff bases, H3L1 and H 3L2, were derived from the condensation reaction of two tripodal tetraamine ligands, tris(3-aminopropyl)amine and (2-aminoethyl)-bis(3- aminopropyl)amine with 3 equiv. of 3,5-di-tert-butylsalicylaldehyde, respectively. The neutral gadolinium(III) and samarium(III) complexes, [Ln(L)], of these bulky ligands and also a gadolinium(III) complex of a previously known ligand,...
Synthesis of Homo and Hetero Bi and Multinuclear Complexes Containing Gold and Closed-Shell Metals Using Bridging Phosphine and Pyridine Ligands and Study of Their Emission Properties
, Ph.D. Dissertation Sharif University of Technology ; Jamali, Sirous (Supervisor)
Abstract
In this project, multi-nucleated clusters of copper (I)-gold (I) and silver (I)-gold (I) were synthesized. Initially, two tetranuclear Au2Cu2 cluster complexes [Au2Cu2(μ-(PPh2)2py)2(μ-OH)](PF6)3, and [Au2Cu2Cl2(μ-(PPh2)2 py)2](OTf)2, have been prepared by the reactions of precursor complexes [Au2(μ-(PPh2)2py)2](OTf)2, and [Cu2(μ-(PPh2)2py)2(μ-SMe2)(OTf)2], with [Cu(NCCH3)4]PF6 and AuCl(SMe2), respectively. The crystal structures of two clusters were determined by X-ray crystallography, indicating a butterfly-shaped Au2Cu2 metal core for the first and a planar-shaped Au2Cu2 metal core for second cluster. In the first cluster, the Cu atoms occupy the edge-sharing bond, while in the second...
On the capacity of level and type modulations in Molecular communication with ligand receptors
, Article IEEE International Symposium on Information Theory - Proceedings, 14 June 2015 through 19 June 2015 ; Volume 2015-June , 2015 , Pages 1951-1955 ; 21578095 (ISSN) ; 9781467377041 (ISBN) ; Mirmohseni, M ; Nasiri Kenari, M ; Fekri, F ; Sharif University of Technology
Institute of Electrical and Electronics Engineers Inc
2015
Abstract
In this paper, we consider the bacterial point-to-point communication problem with one transmitter and one receiver by considering the ligand receptor binding process. The most commonly investigated signalling model, referred to as the Level Scenario (LS), uses one type of a molecule with different concentration levels for signaling. An alternative approach is to employ multiple types of molecules with a single concentration level, referred to as the Type Scenario (TS). We investigate the trade-offs between the two scenarios for the ligand receptor from the capacity point of view. For this purpose, we evaluate the capacity using numerical algorithms. Moreover, we derive an upper bound on the...
The advantage of spectrophotometric measurement for size-selective complexing of Cu(II) with O2N2-azacrown ligands
, Article Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy ; Volume 139 , March , 2015 , Pages 286-289 ; 13861425 (ISSN) ; Gholamnezhad, P ; Sharif University of Technology
Elsevier
2015
Abstract
A comparative investigation of the interaction of Cu(II) with a series of 15- to 19-membered mixed-donor dibenzo-substituted macrocyclic ligands, each incorporating an O2N2-donor set, has been carried out using UV-Visible studies in methanol. Although a ring size effect has been reported for a related series of Ni(II) complexes, no such metal ion discrimination has been reported for Cu(II) in terms of its binding constants with 14- to 17-membered macrocycles. Employing Job's method of continuous variation established 1:1 stoichiometry for the interaction between Cu(II) and 1-5. From UV-Visible studies applying the Benesi-Hildebrand equation, the binding constants (K) of Cu(II) with 1-5 were...
Epoxidation of olefins catalyzed by some cis-dioxomolybdenum(VI)-tridentate schiff base complexes with tert-butyl hydroperoxide
, Article Scientia Iranica ; Volume 17, Issue 2 C , 2010 , Pages 131-138 ; 10263098 (ISSN) ; Ghazali Esfahani, S ; Sharif University of Technology
2010
Abstract
Some cis-dioxomolybdenum (VI) complexes with tridentate Schiff base ligands derived from salicylaldehyde and aminophenols, aminoalcohol or o-aminobenzenethiol were examined as catalysts for epoxidation of different aliphatic and aromatic olefins, with tert-butyl hydroperoxide as oxidant. All complexes exhibited high activity and selectivity for epoxidation of aliphatic substrates during a short time period (95% conversion of cyclooctene after 30 min). The epoxide yield increased with the nucleophilic character of olefin. The catalysts activation strongly depends on the reaction temperature and nature of the solvent. Epoxidation of olefins by these catalysts is inhibited by ligands or...
A unique sensitive and highly selective fluorescent naphthodiaza-crown macrocyclic ligand chemosensor for Hg2+ in water
, Article Journal of Fluorescence ; Volume 27, Issue 4 , 2017 , Pages 1385-1398 ; 10530509 (ISSN) ; Zarepour jevinani, M ; Sharif University of Technology
Springer New York LLC
2017
Abstract
The noticeable enhancement in fluorescence emission of O2N2-donor naphthodiaza-crown macrocyclic ligand (L) in the presence of Hg2+ was observed in which the fluorescence quantum yield of free ligand L as well as L/Hg2+ complex were found to be as 0.29 and 0.49, respectively. The observed ultra-low limit of detection (LOD) for Hg2+ by L was determined as low as 1.0 × 10−11 M in water. A 1:1 stoichiometry was also established for L/Hg2+ together with a binding constant KBH = 66,543 by employing fluorescence spectrophotometry. The competition experiments on L/Hg2+ demonstrated highly selective detection of Hg2+ in the presence of the library cations. A two path mechanism for detection of metal...
Adsorption of pollutant cations from their aqueous solutions on graphitic carbon nitride explored by density functional theory
, Article Journal of Molecular Liquids ; Volume 260 , 15 June , 2018 , Pages 423-435 ; 01677322 (ISSN) ; Shamkhali, A. N ; Tafazzoli, M ; Parsafar, G ; Sharif University of Technology
Elsevier B.V
2018
Abstract
In this study, adsorption of important pollutant cations on the surface of graphitic carbon nitride (g-C3N4) was investigated by density functional theory. The calculations indicated that N6 cavity surrounded by triazine units is the most probable adsorption site on this surface. The structural optimizations also predicted a planar surface for Cr3+, and Ni2+/g-C3N4 systems while the structure of the surface for other systems indicated a considerable distortion with strong dependency on the cation size. Also, g-C3N4 surface exhibited the high adsorption energies for Cr3+, As3+, and Sb3+ ions in the gas phase. However, formation energies of the metal-aquo complexes of these cations indicated...
Synthesis and Study of Catalytic Activity of Iron (III)-bis(2-oxazolinyl) Methane complex by Urea Hydrogen Peroxide in Oxidation of Sulfides
, M.Sc. Thesis Sharif University of Technology ; Bagherzadeh, Mojtaba (Supervisor)
Abstract
Considerable effort has been directed in recent years towards the transition metal complex catalyzed oxidation of organic compounds. Herein the synthsis of the iron complex of bis(oxazoline) ligand as a novel catalyst is reported, and the catalytic activity of this complex in oxidation of sulfides is investigated. Bis(2-oxazolynil)methane as ligand is prepared by condensation of diethylmalonate with 2-aminoethanole in 1:2 molar ratio and finally corresponding complex is synthesized by the reaction between FeCl3.6H2O and Bis(2-Oxazolynil)methane in 1:1 molar ratio. The complex is characterized by using IR, UV-Vis, cyclic voltametery, conductometery and elemental analysis data. Moreover,...