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fullerene
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Reducing the Size of the Reactor for Production of Fullerene-containing Soot and Study on the Efficiency of Alumina and Silica Gel as Stationary Phase for Separation of C60 and C70
, M.Sc. Thesis Sharif University of Technology ; Ghanbari, Bahram (Supervisor) ; Gol Nabi, Hossein (Supervisor)
Abstract
In this study, with respect to previous projects, we focused on size reduction of hollow and endohedral fullerenes research reactors. For this reason, we set up two reactors having 1/2 and 3 liters volumes and then such parameters as pressure, reactor temperature, arc duration time, arc time interval and the working electrical current through the electrodes circuit, in both reactors were optimized. The reactors, 3- and 1/2-liter reactors were of types of horizontal and vertical, respectively. In this project spatial angle between two electrodes were also found as effective variable on fullerenes yield in the 3-liters arc reactor for the first time. We found that upon correction of 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 ; Ghanbari, Bahram (Supervisor)
Abstract
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...
(Synthesis and Comparative Study on Complexation of OxNy-Azacrown Macrocyclic Ligands with [60] Fullerene and Cu(II
, M.Sc. Thesis Sharif University of Technology ; Ghanbari, Bahram (Supervisor)
Abstract
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 Electrochemical Study of Endohedral Fullerenes Prepared by Arc Vaporizing Method
, M.Sc. Thesis Sharif University of Technology ; Ghanbari, Bahram (Supervisor)
Abstract
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...
Design and Analysis of Nano Ball Bearing
, M.Sc. Thesis Sharif University of Technology ; Ahmadian, Mohammad Taghi (Supervisor)
Abstract
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...
Molecular Dynamics Simulation of Nano-Diamond Synthesis by Shock Wave
, Ph.D. Dissertation Sharif University of Technology ; Naghdabadi, Reza (Supervisor) ; Movahhedy, Mohammad Reza (Co-Advisor)
Abstract
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,...
Synthesis and Comparative Study on Complex Formation of Azo-bearing Nitrogen-Donor Macrocyclic Ligands with Fullerene C60 and Cu(II) Cation
, Ph.D. Dissertation Sharif University of Technology ; Ghanbari, Bahram (Supervisor)
Abstract
In the present research, a series of bimacrocyclic tweezer anchored through azobenzene moiety were synthesized and characterized by applying IR spectroscopy, 1H and 13C{1H} NMR, fluorescence spectroscopy, UV-visible spectroscopy, mass spectrometry and elemental analysis and in some cases by X-ray crystallography. Firstly, UV-visible spectroscopy established that the irradiation of the tweezers with UV light promoted the trans to cis isomerization. On the other hand, thermal cis-trans isomerization behavior of the azobenzene moiety in tweezers was surveyed in which the cis isomers were formed of the heating at 50 oC for 5 minutes. Where the -OH group was replaced with 4-toluenesulfonyl...
Molecular Dynamics Simulation of Nanocar Motion on Carbon Structures
, Ph.D. Dissertation Sharif University of Technology ; Nejat Pishkenari, Hossein (Supervisor) ; Ejtehadi, Mohammad Reza (Supervisor)
Abstract
Nanomachines are molecules inspired by natural molecular machines and are able to move and transport at the nanoscale. Due to the advancement of nanotechnology, the need to move materials and energy on a small scale is necessary more than ever. Nanocars are artificial molecular machines with chassis, axles, and wheels designed for nanoscale transport at materials’ surfaces. Understanding the dependence of surface dynamics of nanocars on the substrate’s physico-chemical properties is critical to the design of the transport properties of such man-made nanoscale devices. Among the multitude of potential substrates for the nanotransporters, graphene exhibits intrinsic ripples on its surface,...
Comparative Study on [60]Fullerene and Cu(II) Complexation with O2N3-Azacrowns
, M.Sc. Thesis Sharif University of Technology ; Ghanbari, Bahram (Supervisor)
Abstract
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...
Some Combinatorial Properties of Fullerene Graphs
, M.Sc. Thesis Sharif University of Technology ; Mahmoodian, Abadolla (Supervisor)
Abstract
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 of C60 and Endohedral Fullerenes in New Multi-Channel Arc Reactor Equipped with Horizontal Graphite Electrodes
, M.Sc. Thesis Sharif University of Technology ; Ghanbari, Bahram (Supervisor)
Abstract
One of the most common methods of producing fullerenes is electric arc vaporization of graphite. Due to the low yield and purity of the nanoparticles in this method, the synthesis and isolation of the area research is important. In this work, the production was improved in a multi-channel arc reactor in which having horizontal graphite electrodes. The influence of various operational parameters such as pressure of inert gas, spark time, interval time between two sparks, voltage and current were completely optimized. Moreover, the prominent advantage of the new reactor was increasing the number of manufacturing units, at least from one to three, which the production of fullerene was...
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 ; Ghanbari, Bahram (Supervisor) ; Bagherzadeh, Mojtaba (Co-Advisor)
Abstract
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...
Study on Cation and Fullerene Recognition by OxNx-Aza Crown Macrocyclic Ligands
, M.Sc. Thesis Sharif University of Technology ; Ghanbari, Bahram (Supervisor)
Abstract
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...
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 ; Simchi, Abdolreza (Supervisor) ; Khomamizade, Farzad (Supervisor)
Abstract
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...
Study on The Effect of Complex Formation of Pyridine-derivatized Aza-crown Macrocyclic Ligands Towards Zinc Tetraphenylporphyrin and Zinc Phthalocycnine, Cu(Ii) Cation and C60
, Ph.D. Dissertation Sharif University of Technology ; Ghanbari, Bahram (Supervisor)
Abstract
A set of azacrown macrocyclic ligands bearing pyridine moiety (bp, 1p, 2p) were synthesized and characterized by single-crystal X-ray diffraction (SCXRD), elemental analysis, FT-IR, 1H and 13C NMR methods. The complexes of zinc tetraphenylporphyrin (ZnTPP) with the bp and 1p as the axial ligand were synthesized and characterized by single-crystal X-ray diffraction, elemental analysis, IR, 1H and 13C NMR, fluorescence, UV-vis, cyclic voltammetry, together with TD DFT calculations. By employing this method for ZnTPPbenz and ZnTPPH complexes elucidated that the pyridine moiety was bonded through the fifth- coordination site on the zinc metal atom. In the following study, the coordination...
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 ; Ghanbari, Bahram (Supervisor)
Abstract
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 of Tangential Coefficient of Restitution in Nano-particles Collision
, M.Sc. Thesis Sharif University of Technology ; Sayyadi, Hasan (Supervisor) ; Nejat, Hosein (Co-Supervisor)
Abstract
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...
Synthesis and Optimization of Endohedral Metall of Ullerene Production in Arc Reactor Applying Vertical Graphite Electrodes
, M.Sc. Thesis Sharif University of Technology ; Ghanbari, Bahram (Supervisor)
Abstract
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 and Study on Complexation of Naphthalene Azacrown Macrocycle Ligands with [60] Fullerene and Metal Cations Like Cu2+
, Ph.D. Dissertation Sharif University of Technology ; Ghanbari, Bahram (Supervisor)
Abstract
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 of Aza-Crown Macrocyclic Ligand Appended with Side Arms and Study of their Coordination and Supramolecular Chemistry with Cu2+ and C60
, M.Sc. Thesis Sharif University of Technology ; Ghanbari, Bahram (Supervisor)
Abstract
In the present study, the coordination chemistry of an O4N4-tetrabenza-crown ether macrocyclic ligand L1 with M2+ (M= Cu, Cd, Hg, and Pb) was investigated by employing UV-visible, 1H-NMR spectroscopy in their solutions. According to the association constants calculated by 1H-NMR titrations, the complex formation stability for these closed shell cations was found in a series of Pb > Hg > Cd, leading to the larger cation, the better accommodation with L1. Moreover, the supramolecular interaction of L1 with fullerene C60 was also assessed by UV-visible spectroscopy. Meanwhile, the structure of [Cd(1)]2+ complex was determine by X-ray crystallographic method in their solid state. A square...