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    Investigation on the Solfate and Chloride ion Concentration on Carbon Nanotubes Frmation Via Arc Discharge in Aqueous Solution

    , M.Sc. Thesis Sharif University of Technology Shervin, Shahab (Author) ; Simchi, Abdolreza (Supervisor) ; Khomamizade, Farzad (Supervisor)
    In this work, carbon nanotubes (CNTs) were synthesized via arc discharge in an aqueous solution. The role of iron catalyst in CNTs formation was investigated utilizing arc discharge in iron salts solution (Fe2(SO4)3 and FeCl3). Thermogarvimetric (TG) analysis showed the presence of multi-layered structures including multi-walled carbon nanotubes (MWCNTs) and multi-shelled graphite particles when processing was performed in DI-water. In the presence of iron ions, single-walled carbon nanotubes (SWCNTs) and double-walled carbon nanotubes (DWCNTs) were formed. The effect of iron ions (Fe3+) concentration on CNTs yield was investigated by Raman spectroscopy. The highest yield was obtained when... 

    Comparative Study of Anti-oxidant Property of Fullerene C60 and its Amine Derivatives: the Effect of Transition Metal Complexes

    , M.Sc. Thesis Sharif University of Technology Tangeysh, Behzad (Author) ; Ghanbari, Bahram (Supervisor)
    Since the discovery of fullerene C60, its chemical and physical properties have been a hot topic in the field of research. For the past two decades remarkable developments achieved in the field of fullerenes chemistry. The aim of this study is comparative study of antioxidant property of fullerene C60 and its amine derivatives and the effect of transition metal complexes. At the outset the anti-oxidative property of fullerene C60 and its amine derivatives explored and it was found that by increasing the chain length of amines, the anti-oxidative property of aminofullerenes increased respectively. In next step the effect of CoSALEN complex on anti-oxidative property of fullerene was... 

    Synthesis of Azacrown Ethers N2O2 Ligands Substituted on the Ullerene and Investigation of Its Coordination Properties

    , M.Sc. Thesis Sharif University of Technology Khamseh, Leila (Author) ; Ghanbari, Bahram (Supervisor)
    The goal of this project was study on coordination behavior of the 14-membered macrocyclic ligand of type N2O2 aza-crown while it is attached to fullerene C60 nano-particle. For this purpose, firstly the macrocyclic ligand (Fig 3-1, L1) was synthesized and then was reacted with C60 (Fig 3-1, L2) of which the product was characterized by elemental analysis. Since the product was insoluble in any solvents, further study on its coordination chemistry was impossible. In a second procedure, the macrocyclic ligand was reacted with benzylbromide. The reaction mixture gave two macrocyclic ligands with different number of benzylic pendant groups (Fig 3-1, L3-L4). The products were separated by column... 

    On Some Graph Theoretic Properties of Fullerenes

    , M.Sc. Thesis Sharif University of Technology Hosseinzadeh, Mohammad Ali (Author) ; Akbari, Saeed (Supervisor)
    A fullerene graph is a cubic and 3-connected plan graph that has exactly 12 faces of size5 and other faces of size 6, which can be regarded as the molecular graph of fullerene.In the irst part of this thesis we study some important deinitions and theorems whichused in the other parts.A matching of a graph G is a set M of edges of G such that no two edges of M sharean end-vertex; further a matching M of G is perfect if any vertex of G is incident with anedge of M. A matching M of G is maximum if |M| ? |N| for any other matching N in G. Amatching M is maximal if it is not a proper subset of some other matching in G. Obviously,any maximum matching in G is also a maximal matching. An... 

    Design and Analysis of Nano Ball Bearing

    , M.Sc. Thesis Sharif University of Technology Naseiri Sarvi, Masuod (Author) ; Ahmadian, Mohammad Taghi (Supervisor)
    Nowadays, science of nano technology has been growing quickly in the past decade. Scientists implemented this technology in bioengineering, electronics and medicine extensively. Nano scale engineering is one of the interests of researchers, nano bearing as a nano scale structure and as an important part of nano machining plays an important role in micro and nano devices. The role of nano bearing is to decrease energy dissipation and increase the efficiency of nano machines. The main purpose of this study is to design and analyze an optimized nano ball bearing. In this regard, a new spherical super element is designed and presented. This super element is implemented in simulating the... 

    Comparative Study on [60]Fullerene and Cu(II) Complexation with O2N3-Azacrowns

    , M.Sc. Thesis Sharif University of Technology Mahlooji, Niloofar (Author) ; Ghanbari, Bahram (Supervisor)
    The purpose of this project is to synthesis of O2N3-azacrown ligands with 17 to 21 membered ring and investigation of their interaction with C60 according to increase ring size. These macrocyclic ligands can be used in C60 purification. In this project, change in macrocyclic cavity for finding the best macrocycle with appropriate cavity to C60 size has been considered. Firstly, five O2N3-azacrown ligands were synthesized and characterized by NMR spectroscopy and elemental analysis. Interaction of these ligands were considered by electronic spectroscopy applying Benesi-Hildebrand equation. According to the results, it was found that the best macrocycle for formation of stable complex with... 

    Synthesis and Electrochemical Study of Endohedral Fullerenes Prepared by Arc Vaporizing Method

    , M.Sc. Thesis Sharif University of Technology Hashemi, Ali (Author) ; Ghanbari, Bahram (Supervisor)
    Fullerenes are molecular solid materials which are composed of 3D closed shell carbon-only structure. As soon as mass production of fullerenes was performed, the synthesis and characterization of endohedral fullerenes having at least one non-carbon element in the hollow fullerene cage, was started (in which about 30 atoms inserted in it so far). Furthermore, because of low efficiency and purity of these nano-particles, nowadays characterization of fullerenes is one of the most important research fields. In this project, we firstly optimized the fullerene production parameters in an arc discharge reactor to reach convenient efficiency. Then, the synthesis of endohedral fullerene by vaporizing... 

    (Synthesis and Comparative Study on Complexation of OxNy-Azacrown Macrocyclic Ligands with [60] Fullerene and Cu(II

    , M.Sc. Thesis Sharif University of Technology Varmazyad, Mahboubeh (Author) ; Ghanbari, Bahram (Supervisor)
    In our previous work in this laboratory, macrocycle containingO_2 N_2 and O_2 N_3- donor set with various ring size were synthesized. The intraction of macrocyles with [60]fullerene were determined. In this research, we synthesized 22-membered aza-crown macrocycle ligand containing O_4 N_2- donor set and characterized by NMRspectroscopy. The intraction of macrocycle with [60]fullerene were also investigated by UV-Visible spectroscopy. The formation constant was determined applying Benesi--Hildebrand equation. The result has been showed that O_4 N_2 macrocyle had better complexation with [60]fullerene in comparision of O_2 N_3 and O_2 N_2 donor sets. Then, the interaction of O_4 N_2 with... 

    Synthesis and Optimization of Endohedral Metall of Ullerene Production in Arc Reactor Applying Vertical Graphite Electrodes

    , M.Sc. Thesis Sharif University of Technology Zarepour Jevinani, Morteza (Author) ; Ghanbari, Bahram (Supervisor)
    One of the considerable issues in fullereneresearch is low yield of endohedral fullerene production.In this project, synthesis and optimization of endohedral metallofullereneproduction was undertaken byarc reactor applying vertical graphite electrodes, using vaporizing composite lanthanum-oxide-graphite-dopped rod. Increasing the efficiency of endohedral fullerrene production in sootwas followed applyingcarbide formation in electrode which was studied by X-ray diffraction(XRD), thermogravimetric analysis(TGA) and infrared (IR) spectroscopy. In addition, as a simple and fast method, the liquid column chromatography was applied in separation and purification of fullerenes as well as endohedral... 

    Synthesis of N2O2N Azacrown Macrocyclic Ligands and Comparative Study on the Complexation of Ligands with [60]Fullerene and Cu(II)

    , M.Sc. Thesis Sharif University of Technology Shahhosseini, Leila (Author) ; Ghanbari, Bahram (Supervisor)
    By considering previous experiments undertaken in our laboratory on O2Nx (x=2,3) azacrown complexes with [60]fullerene, it was found that factors such as the macroring size, type and number of the donors groups in these macrocyclic ligands had significant effects on their selectivity towards [60]fullerene complexation. In this research, three N2O2N–azacrown macrocyclic ligand having uniform distribution of nitrogen atoms in macroring was synthesized using direct synthesis and high dilution method. The products were characterized applying 1H and 13C NMR spectroscopy as well as elemental analysis. Interaction of these ligands with [60]fullerene and Cu(II) were monitored by UV-vis spectroscopy... 

    Study on Cation and Fullerene Recognition by OxNx-Aza Crown Macrocyclic Ligands

    , M.Sc. Thesis Sharif University of Technology Safar koopayeh, Barzin (Author) ; Ghanbari, Bahram (Supervisor)
    In this research, a new group of N2O2–azacrown macrocyclic ligands with different macroring size from 15 to 18 was synthesized using one-pot facile and high yield reaction. The products were characterized applying FT-IR, 1H and 13C NMR spectroscopies as well as elemental analysis. The single crystal structure of 18-membered macrocyclic ligand was also determined by x-ray crystallography. The crystallographic data showed such strong inter-molecular hydrogen bonding which excluded their nitrogen-donor groups, and initial investigation with UV-Vis spectroscopy shows no intraction with [60]fullerene, despite of presence of these interacrtions in their parent macrocycles. The result of Job’s... 

    Synthesis of Tweezer-Like OxNy Macrocyclic Ligands and Study on the Effect of Macroring Linking on Selectivity Towards [60]Fullerene and Transition Metal Cations

    , Ph.D. Dissertation Sharif University of Technology Gholamnezhad, Parisa (Author) ; Ghanbari, Bahram (Supervisor) ; Bagherzadeh, Mojtaba (Co-Advisor)
    By considering previous works undertaken in our laboratory on the interaction between O2N2 azacrown and [60]fullerene using UV-vis spectroscopy. It was found that the significant interaction occurs in less than one hour. Extending this time in this research, the reaction between [60]fullerene with 15 to 19 membered N2O2-azacrown macrocyclic ligands was investigated during ten days. The new compounds L1, L2 were synthesized and characterized applying HPLC, ESI-Mass, TG, DSC, IR as well as elemental analysis. The interaction of new compounds with Cu(II) and Ni(II) and Co(II) using UV-vis spectroscopy showed that L2 gave the highest Kb value of cations/(L1, L2). Besides, it was found that the... 

    Synthesis of Azacrown Macrocyclic Ligand with Pendant Arms and Study of Their Complexation with [60] Fullerene and Cu(II) Cation

    , M.Sc. Thesis Sharif University of Technology Kazemi, Ameneh (Author) ; Ghanbari, Bahram (Supervisor)
    In this research, four N2O2–azacrown macrocyclic ligands with naphthalene pendant arms (L1-L4) were synthesized using direct synthesis. The products were characterized applying 1H and 13C {1H} NMR spectroscopy, IR and Mass spectrometry. Interaction of these ligands with [60]fullerene and Cu(II) were monitored respectively by fluorescent as well as UV-vis spectroscopy and applying Benesi-Hildebrand equation. These intercations were compared with N2O2 macrocyclic ligands in previous experiments in terms of their calculated association constants (Ka). According to our results, the presence of naphthalene pendant arm groups led to increase the interaction with [60]fullerene compared to the... 

    Coordination Investigation of Macrocyclic Ligands Tertiary Amine Groups with [60] Fullerene and Cu(II)

    , M.Sc. Thesis Sharif University of Technology Asadi Mofarrah, Leila (Author) ; Ghanbari, Bahram (Supervisor)
    The reaction of O2N2-donor naphthodiazacrown, with salicylaldehyde afforded new O3N2-donor macrocyclic ligands (L1-3naph) mounted with 1,3-diazcyclohexane subring in high yield. The product was characterized by IR, 1HNMR spectroscopy as well as elemental microanalysis and single crystal X-ray studies (just for L3naph). The interactions of [60]fullerene in presence and absence of base, Cu(II), Hg(II) and Zn(II) with L1-3naph were investigated employing fluorescence spectroscopy. The efficient fluorescence quenching of L1-3naph in presence of C60, Cu(II)( L1-2naph) and the fluorescence enhancement in presence of Hg(II) and Zn(II) indicated that the interaction with [60]fullerene Hg(II) and... 

    Some Combinatorial Properties of Fullerene Graphs

    , M.Sc. Thesis Sharif University of Technology Ghaderi, Shadisadat (Author) ; Mahmoodian, Abadolla (Supervisor)
    In the study of molecules and chemical structures, especially fullerenes, they can be modeled to graphs. In this way, we can consider some chemical properties as graphical properties such as, perfect matching, connectivity, Hamiltonian; in order to obtain some results about some families of chemical structures.In this thesis, at first we mention some graphical and combinatorial properties. Then,we survey some results about fullerenes, and finally we investigate some properties of specific families of fullerenes. Furthermore, we mention some existing open problems in each case  

    Synthesis and Study on Complexation of Naphthalene Azacrown Macrocycle Ligands with [60] Fullerene and Metal Cations Like Cu2+

    , Ph.D. Dissertation Sharif University of Technology Zarepour-jevinani, Morteza (Author) ; Ghanbari, Bahram (Supervisor)
    In the present research, two series of N2O2- and N4O2-naphthadiaza-crown macrocyclic ligands with different macroring size, 15-21 memberd (L1-L7) were synthesized using direct method. The products were characterized by applying 1H and 13C NMR, IR spectroscopy, mass spectrometry and elemental analysis and in some cases by X-ray crystallography. Firstly, to study on emission properties of naphthadiaza-crown macrocyclic ligands as a fluorophore, we employed different amines as fluorescence quencher. It was observed that the quenching effects of 3o aliphatic amines like triethylamine were more pronounce than other group of amines. Also, the quenching constants for interactions of macrocyclic... 

    Synthesis and Characterization of NxOy-Naphthodiazacrowns and Study of Supramolecular Chemistry with C60 and Cu(II)

    , M.Sc. Thesis Sharif University of Technology Jamjah, Ali (Author) ; Ghanbari, Bahram (Supervisor)
    New N4O6 molecular tweezers were synthesized from N2O2 benzo- and naphthodiazacrown macrocycles bearing benzylic dialdehydes as a flexible and semi-flexible spacer in a short time and at room temperature. The products were characterized by IR, 1H and 13C NMR spectroscopy as well as elemental microanalysis. The interactions of some of these tweezers with C60, Cu(II), Co(II), Ni(II), Zn(II), Hg(II) and Mn(II) were investigated by employing UV-Vis and fluorescence spectroscopy. Efficient fluorescence responses for 2NM3BD were observed in the presence of C60, Cu(II), Mn(II), Hg(II) and Zn(II). Meanwhile, the calculation of the association constants (K¬BH) employing Benesi-Hildebrand equation in... 

    Study of Tangential Coefficient of Restitution in Nano-particles Collision

    , M.Sc. Thesis Sharif University of Technology Shahbakhti, Abbas (Author) ; Sayyadi, Hasan (Supervisor) ; Nejat, Hosein (Co-Supervisor)
    In this thesis, the collisions of two fluorine-C60 nanoparticles have been studied using molecular dynamics simulation. The main purpose of this thesis is to present a completely new method based on the definition of the vertical and tangential coefficient of restitution, although by using the combination of the simulation and theory results, we can obtain the approximate parameters of physical properties of nanoparticles, such as hardness coefficient, surface tension, friction coefficient, etc.At first, two fluorine C60 under different conditions, including collision velocity, collision angle, initial temperature, initial rotational angle of the molecule, and various potential applications... 

    Study of Supramolecular Chemistry of Fullerene (C60) with Azobenzene Tweezer Linking to Biaza-Crown Macrocycles Coordinated to Zinc Tetraphenylporphyrin

    , M.Sc. Thesis Sharif University of Technology (Author) ; Ghanbari, Bahram (Supervisor)
    In this project, in continuation of a PhD resreach undertaken in this research group in 2017, the synthesis and study of two new tweezer and linker molecule bearing azobenzene moiety were carried out, characterized by applying IR spectroscopy, ¹H and ¹³C {¹H} NMR, fluorescence spectroscopy, UV-visible spectroscopy, elemental analysis and X-ray crystallography. Firstly, interaction of T2 with meso-tetraphenylporphyrinato zinc(II) and aluminium tetraphenylporphyrinato were studied using the fluorescence spectroscopy. The formation constant of T2 in cis and trans isomer with ZnTPP was measured as 5.1(±0.4) ×108 and 2.0×108(±1074) dm6mol-2, respectively. The formation constant of T2 in with... 

    Molecular Dynamics Simulation of Nano-Diamond Synthesis by Shock Wave

    , Ph.D. Dissertation Sharif University of Technology Mahnama, Maryam (Author) ; Naghdabadi, Reza (Supervisor) ; Movahhedy, Mohammad Reza (Co-Advisor)
    In the field of high-pressure material science, diverse carbon systems under pressure have been intensively studied with interest in synthesizing new phases. A variety of these synthetic phases which have met various applications in today technology are called the amorphous diamond. The pressure-induced structural transition of carbonaceous material to amorphous diamond is realized by shock compression and rapid quenching. The shock compression and rapid quenching generate the high pressure (several GPa) and the temperature (several hundred K) in a fraction of a microsecond.Since the mechanical and electrical properties of the synthetic diamond are severely sensitive to the atomic structure,...