Sharif Digital Repository

Two new dioxomolybdenum(VI) complexes have been synthesized by the reaction of N,N'-bis(5-chlorosalicylidene)-2,2'-dimethyl-1,3-propanediamine and N,N'-bis(5-bromosalicylidene)-2,2'-dimethyl-1,3-propanediamine as Schiff base ligands with [Mo(O)2(acac)2] in methanolic solution.and their electronic structures have been investigaged theoretically. The Schiff base ligands H2L1 and H2L2 were prepared by reaction of 5-Chlorosalicylaldehyde and 5-Bromosalicylaldehyde with 2,2'-dimethyl-1,3-propanediamine, respectively. The result of these reactions, was two complexes of Mo(O)2L1 and Mo(O)2L2 .The compounds were characterized by elemental analyses (CHN), and 1HNMR and IR spectroscopic techniques.... 

The synthesis, characterization, structural and computational studies of mononuclear Re(I) tricarbonyl complexes of 2,2'-bipyridine (2,2′-bpy) and 2,9-dimethylphenanthtroline (2,9-Me2Phen), [Re(CO)3(NN)(X)], where NN=2,2′-bpy,X=Br (1) and X=–ONO (3); NN=2,9-Me2 Phen, X=Br (2) and X= –ONO (4), were reported. The complexes characterized by crystallographic and spectroscopic methods and elemental analyses. In each complex, the Re(I) center showed the distorted octahedral geometry. Single crystal X-ray diffraction data revealed the endo-nitrito (κ1–ONO) coordination in complexes 3 and 4. It has been shown that the replacement of the bromo ligand in complexes 1 and 2, either by AgOTf/NaNO2 in a... 

In this study, several new complexes of [Re(CO3)(DAB)X] (X= OTf, H2O) were synthesized. These complexes have a distorted octahedral arrangement, in which three carbonyl groups in facial geometry, a bidentate ligand of type 1,4- diazabutadiene (DAB) having different substitutions at the nitrogen position, and a trifluoromethanesulfonate ligand (OTf) or water, have been coordinated to the rhenium metal center. These complexes include [Re(CO)3(2,4-Me2DAB)(OTf)] (1), [Re(CO)3(2,4,6-Me3DAB)(H2O)]OTf (2), [Re(CO)3(2,6-isoDAB)(OTf)] (3) & [Re(CO)3(2,4-Me2DAB(Me))(H2O)]OTf (4). In order to characterize the geometric arrangement of these compounds, different kinds of spectroscopy methods include... 

In this research, synthesis, structural and theoretical studies of rhnium(I) tricarbonyl complexes with general formula, fac-[Re(CO)3(NN)X] in which NN´ is chelating bidentate diimine ligand and X = Cl, Br, and OCOCF3 ligands were studied. The synthesized complexes were characterized by 1H-NMR and FTIR spectroscopic methods and their solid state structures were determined by X-ray diffraction analysis. Then, the reaction of the synthesized rhenium complexes were studied by copper(I) iodide. Crystal structure determination by single-crystal X-ray diffraction allows us to fully examine the intramolecular and intermolecular interactions. We also investigated the energy of different... 

Rhenium(I) tricarbonyl complexes with NN-donor ligands display promising properties for potential applications as molecular catalysts for the reduction of carbon dioxide and as biocompatible pro-drugs for the controlled release of carbon monoxide. In this context the diimine type ligands are one of the most widely used bidentate chelating moieties. In this work, several [Re(CO)3(DAB)X] complexes were prepared in a standard manner by replacement of two cis CO groups in the starting bromo- or chloro-pentacarbonylrhenium complexes with 1,4-diazabutadiene (DAB) ligands. Their pseudo-octahedral facial structures were established using FT-IR, 13C-NMR and 1H-NMR and confirmed by X-ray... 

In this research, synthesis, structural and theoretical studies of new rhenium (I) tricarbonyl complexes with general formula, [Re(CO)3(NN)X] in which NN´ is chelating bidentate diimine ligand and X = Perrhenate, NO2 and ONO ligands were studied. The synthesized complexes were characterized by 1H-NMR, FT-IR and ESI-mass spectroscopic methods and their solid state structures were determined by X-ray diffraction analysis. Crystal structure determination by single-crystal X-ray diffraction allows us to fully examine the intramolecular and intermolecular interactions. The energy of different n → π* interactions also was investigated. Since three carbonyl groups are present in these complexes, we... 

Liquid-infused surfaces (LISs) reveal promising performance in improving condensation due to their ability to create a surface with a low contact angle (CA) that is suitable for nucleation rate, and low contact angle hysteresis (CAH), which allows for easy shedding. However, these surfaces have been limited in practical application due to issues with durability and scalability. Additionally, creating durable surfaces has been expensive and poses risks due to using specific chemicals. In this study, aluminum samples covered with silicone oils of various viscosities and decamethylcyclopentasiloxane (D5) are exposed to ultraviolet (UV) light to produce a durable and low-cost 1-D LIS that does... 

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... 

In this study first some new diimine ligands were synthesized, then mononuclear and binuclear Cu(I) complexes with starting matrials, [Cu(NCCH3)4]X (X= PF6, ClO4) or CuI, and the synthesized diimine ligands and phosphinic (POP) ligand were prepared. These complexes were characterized using 1HNMR, 31P{1H}NMR, and FT-IR spectroscopic methods and their solid state structure were determined by single crystal X-ray diffraction. Inspection of the solid-state structurs, showed variety of the stabilizing interactions shuch as NO2•••NO2, π•••π, C─H•••π, and NO2•••π. Density functional theory (DFT) was used for geometry optimization of the singlet states in gas phase and the electronic structure... 

In this study, a number of complex cobaloxim complexes [Co(DMG)2LX] in which L= 4-MePy, 3-MePy, 4-bzPy, 3-CNPy, 4-CNPy, tBuPy, styPy, NaphPy synthesized and their structure studied. These complexes were identified by FT-IR and 1H NMR methods as well as their solid state structure studied by X-ray crystallography of single crystals. Gaussian 09 software was used to optimize the geometric structure and obtain the vibrational frequency of cobalt complexes. Charge decomposition Analysis (CDA) and molecular orbital studies were performed using the AOMix 6.88 software. Also, the characterization of σ-donating and П-acceptoring of pyridine ligands in these complexes was investigated using... 

In this study, a number of chloro and nitro cobaloxime complexes with triphenylarsine and triphenylstibine synthesized from dichloro precursor and their structure were studied. These complexes were identified by FT-IR and 1H-NMR methods also their solid state structure studied by X-ray crystallography of single crystals. Intramolecular interactions of these complexes analyzed and studied by NCIPLOT 3.0 and VMD 1.9.3 programs which has different kind of intramolecular interactions which can be identified by their colors. All these complexes have strong hydrogen bond between hydrogen of oxime group and oxygen of other dimethylglyoxime ligand. Also coordinate covalent bond among ligands and... 

In this study, two new cobaloxime complexes with molecular formula [Co(DMGH)2{P(p-PhOCH3)3}(X)] in which X= Cl, NO2 were synthesized and their structure studied. These complexes were identified by FT-IR and1H-NMR 31P{1H}-NMR methods as well as their solid state structure studied by X-ray crystallography. The non-covalent interaction of two complexes including non-classical hydrogen interactions, C─H...π interactions, and dispersion interactions were confirmed and compared theoretically and experimentally by analyzing the data extracted from X-ray single crystal diffraction  

In this study, synthesis structural and theoretical studies of four rhenium tricarbonyl complexes with 3-cyanobenzaldimino ethylenediamine (3CNbzen) and 2,3,6,7-tetraphenyl-1,4,5,8-tetraazaphenantherene (Ph4TAP) were investigated. The synthesized complexes were characterized by spectroscopic methods and their solid-state structure were determined by single-crystal X-ray diffraction analysis. Using single-crystal X-ray diffraction structure, the intra- and intermolecular interactions of the complexes and their dimers resulted from X-ray Cartesian coordinates were investigated. Furthermore, computational approaches were carried out to confirm the existence of the intra- and intermolecular... 

Energy management strategies (EMSs) play a crucial role in enhancing the performance of electric vehicles (EVs). This Ph.D. thesis focuses on developing an intelligent EMS (IESM) aimed at mitigating battery degradation by optimally splitting the load current within a hybrid energy storage system (HESS) that integrates batteries and supercapacitors (SCs) in a connected EV. The battery and SC packs are arranged in a semi-active topology utilizing a bi-directional DC-DC converter, which regulates the SC current through a model predictive control (MPC) supervisory controller. Initially, a straightforward approach is proposed for the real-time modeling of EV, including their primary electrical... 

According to the rapid growing in communication devices, users need higher rates for their usages. Fiber optics is one the major choices to support such rates. One of the simplest and cheapest networks is Local Area Network (LAN) as a Passive Optical Network (PON). In these networks, some computers are locally connected to a passive optical device and communicate through it. Multiple access to a shared channel is an important task in such a network. In this thesis, Code Division Multiple Access (CDMA) is used and a new algorithm for Multiple Access Control Sublayer (MAC) based on scheduling will be developed to improve Quality of Service (QoS) and stabilize the network.
In the scheduling... 

Scattering theory on locally symmetric space first was studied by Peter Lax and Ralph Phillips. They studied the and develop scattering theory on it. Without the Fourier analysis tools this theory was completed with a lot of computations. In this thesis first we try to construct Fourier analysis by definition Fourier transform then by means of new tools we prove very short version of scattering theory on locally symmetric space . In general case for studying scattering theory we need firs spectral decomposition of Hilbert space of square integrable functions locally symmetric spaces of rational rank one is achieved by quotient of symmetric space where G is Lie group and K is maximal... 

Lipases (Triacyl Glycerol Acyl Hydrolase, EC.3.1.1.3) are multidimensional biocatalysts which have many applications in food industrials, dairy, fats and oils processing, detergents, synthesis of pure chemical and pharmaceutical materials, paper industrial and cosmetics. Generally, industrial enzymes are produced extracellularly, so their separation from a low-cost complex medium (usually used for production) is one of the cost stages in their production process. Filtration is the most economical method of separation in the production of enzymes, but due to the small size of colloidal particles and cell masses present in the fermentation environment, its use is subject to limitations. In... 

Reviewing trends of energy consumption in the world reveals that sooner or later energy resources will be depleted. This concerning rate of consumption has brought about more greenhouse gases (GHG) emission influencing deleteriously on environment and climate. Human has continued energy consumption to maintain and improve the quality of his life through industrial production. Industry as a significant energy user owns considerable contribution to this consumption. Several attempts have been carried out to develop energy management systems in order to improve the energy efficiency of industrial sectors. Whilst they are comprehensive and could be applied to any sector, there is lack of... 

The Tilor welded blank (TWB) two or more sheets with different thickness or strength which are welded together. The automobile designer are searching for new methods to reduce the cars’ weight and producing cost in order to diminish fuel consumption so they can survive in the competitive market. One way to achieve to this seemingly Contradictory demands, is using TWB in cars’ body. One of the most applicable methods to investigate the formability of metals sheets, is Forming Limit Diagrams (FLD). Three ways to determine the FLD are: Analytical Method, Experimental Methods, and Numerical Method. The experimental method to determine FLD, require metal sheets to undergo in different strain...