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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) Bagherzadeh, M ; 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) Haghdoost, M. M ; 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) Hendi, Z ; 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, single crystal, electrochemical and study of fluorogenic dibenzodiaza-crown-appended with bis(ZnTPP) azo-tweezer and spectroscopic elucidation of photo-induced macrocycle-deformation-based chromotropism

    , Article Polyhedron ; Volume 227 , 2022 ; 02775387 (ISSN) Ghanbari, B ; Mahdavian, M ; Bakhshandeh, M ; Kubicki, M ; Sharif University of Technology
    Elsevier Ltd  2022
    Abstract
    In the present research, a new tweezer T bearing azobenzene linker 1 was prepared, characterized by applying FT-IR spectroscopy, fluorescence spectroscopy, UV–visible spectroscopy, and elemental analysis 1H and 13C{1H} NMR. T crystals were obtained by reaction of 1 with ZnTPP in CHCl3/acetone. Under irradiation with a mercury lamp to achieve the trans-to-cis isomerization, a dramatic color change from violet to green in chloroform was observed. The X-ray crystallography of T revealed an observable macroring deformation of the ZnTPP for the trans isomer. We observed a deviation of 0.11 Å from planarity for the least-squares plane of ZnTPP owing to the axial coordination by the pyridine... 

    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 Yousefalizadegan, Fazile (Author) ; 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) Kia, R ; 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) Kia, R ; 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) Jamshidi, M ; 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) Armanmehr, S ; 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) Mahlooji, N ; 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) Nayeri, S ; 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) Matloubi Moghaddam, F ; 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 Shakirova, J. R ; 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) Salehzadeh, S ; 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 Nayeri, Sara (Author) ; 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) Aminian, G ; 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) Ghanbari, B ; 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) Bagherzadeh, M ; 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) Ghanbari, B ; 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) Safdari, F ; 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...