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Articles 2191 - 2220 of 2574
Full-Text Articles in Physical Sciences and Mathematics
Analysis Of Images Of Cells With Neurites, Florence Cloppet, Georges Stamon
Analysis Of Images Of Cells With Neurites, Florence Cloppet, Georges Stamon
Turkish Journal of Electrical Engineering and Computer Sciences
This study is concerned with the segmentation of cytological images and extraction of cellular entities in order to provide quantitative data about the number of cells in culture (statistical tests, morphology, model of evolution, etc). This quantitative supply is useful in biology to evaluate the consequences of the application of active substances on morphological changes and cellular viability. It is related to the conception of a system dedicated to automatic analysis of cell images, in order to evaluate the effects of drugs on the morphology of neuronal cells. We use a cooperative region / contour segmentation, which gives closed polygonal …
Signal Injection With Perceptual Criteria, T. Engi̇n Tuncer
Signal Injection With Perceptual Criteria, T. Engi̇n Tuncer
Turkish Journal of Electrical Engineering and Computer Sciences
In this paper, a novel method for increasing the coding performance and information transmission capacity is presented. This method is mainly based on perceptual modelling of input signal such as speech or audio. Presented approach may be seen as an alternative to transforms which dynamically change analysis window for better energy compaction. A perceptual model is established in order to obtain a global masking threshold in frequency below which sounds become inaudible. Certain criteria are developed for identifying the signal injection bands. A new multiband filter design method which is a generalization of windowing method is used to separate the …
Imaging Electrical Current Density Using Nuclear Magnetic Resonance, B. Murat Eyüpoğlu, Ravinder Reddy, John S. Leigh
Imaging Electrical Current Density Using Nuclear Magnetic Resonance, B. Murat Eyüpoğlu, Ravinder Reddy, John S. Leigh
Turkish Journal of Electrical Engineering and Computer Sciences
In this study, images of nonuniform and uniform electric current density in conductor phantoms, which contain magnetic resonance active nuclei, are produced using Magnetic Resonance Imaging (MRI). A standard spin echo pulse sequence is used, with the addition of a bipolar current pulse. The flux density parallel to the main magnetic field, generated by the current pulse, is encoded in the phase of the complex MR image. The spatial distribution of magnetic flux density is extracted from the phase image. Current density is calculated using the magnetic flux density. This fairly recent technique is known as Magnetic Resonance Current Density …
Genetic Approach For The Determination Of Object Parameters From X Ray Projections, Tayfun Günel, Sedef Kent
Genetic Approach For The Determination Of Object Parameters From X Ray Projections, Tayfun Günel, Sedef Kent
Turkish Journal of Electrical Engineering and Computer Sciences
In this study, a new method is presented, based on genetic algorithms for determining object parameters such as radii and/or attenuation coefficients with some assumptions and estimating a cross-sectional image of an object from its projections obtained by X ray illumination. After it was tested for projections degraded by different random noise levels, it was observed that the genetic and fuzzy genetic algorithms improved the signal to noise ratio of the projections. The fuzzy genetic algorithm gave better results than the genetic algorithm.
Distribution System Planning Usign Mixed Integer Programming, Belgin Türkay
Distribution System Planning Usign Mixed Integer Programming, Belgin Türkay
Turkish Journal of Electrical Engineering and Computer Sciences
This paper presents an improved mathematical model to optimise the size and locations of substations and the network routing problem. The model was formulated to minimise the total cost of the network by determining the optima of the substation locations and power, the load transfers between the demand centers, the feeder routes and the load flow in the network subject to a set of constraints. The computational results of a devised sample problem indicate that the developed optimisation model and its code are adequate for computer aided planning of distribution systems.
Imaging Tissue Conductivity Via Contactless Measurements: A Feasibility Study, Nevzat G. Gençer, M. Nejat Tek
Imaging Tissue Conductivity Via Contactless Measurements: A Feasibility Study, Nevzat G. Gençer, M. Nejat Tek
Turkish Journal of Electrical Engineering and Computer Sciences
The feasibility of a new imaging system is investigated. This system will be used to image electrical conductivity distribution of biological tissues via contactless measurements. This will be achieved by introducing currents in the conductive medium using time-varying magnetic fields and measuring the magnetic fields of the induced currents. Consequently, the imaging system consists of transmitter and receiver coils placed nearby the conductive body. In this study, the basic features of the coplanar and coaxial coils are studied. The validity of the simplifying assumptions for the governing field equations is investigated. It is found that, for operating frequency of 100 …
Measurement Of The Fraction Of Hadronic Z Decays Into Charm Quark Pairs, R. Barate, M. Thulasidas
Measurement Of The Fraction Of Hadronic Z Decays Into Charm Quark Pairs, R. Barate, M. Thulasidas
Research Collection School Of Computing and Information Systems
The full statistics of hadronic Z decays collected with the ALEPH detector are analysed to measure, by three methods, the ratio, RcRc, of the partial decay width of the Z into cc¯cc¯ quarks to the total hadronic width. One method uses the inclusive pp and p⊥p⊥ spectra of electrons. The other two use a double-tagging technique to measure RcRc independently of the charm-tagging efficiency. In one, the tagging procedure uses the reconstruction of high momentum charmed mesons (D∗+D∗+, D+D+ and \({\rm D^0}$) to detect the charm quarks. In the other, a charm quark is tagged from the D∗D∗'s reconstructed in …
Observation Of Doubly-Charmed B Decays At Lep, R. Barate, M. Thulasidas
Observation Of Doubly-Charmed B Decays At Lep, R. Barate, M. Thulasidas
Research Collection School Of Computing and Information Systems
A search for doubly-charmed B decays with both charmed mesons reconstructed is performed, using about 3.8 million hadronic Z decays recorded with the ALEPH detector at LEP. A clear signal is observed in the channels B→DsD¯(X)B→DsD¯(X) and B→DD¯(X)B→DD¯(X) (where D can be either a D00, a D++ or a D∗+∗+), providing the first direct evidence for doubly-charmed B decays involving no DsDs production. Evidence for associated K0SKS0 and K±K± production in the decays B→DD¯(X)B→DD¯(X) is also presented and some candidates for completely reconstructed decays B→DsD¯(nπ)B→DsD¯(nπ), B→DD¯K0SB→DD¯KS0 and B→DD¯K±B→DD¯K± are observed. Furthermore, candidates for the two-body Cabibbo suppressed decays B0→D∗−D∗+B0→D∗−D∗+ and …
Searches For Charginos And Neutralinos In E+E- Collisions At √S = 161 And 172 Gev, R. Barate, M. Thulasidas
Searches For Charginos And Neutralinos In E+E- Collisions At √S = 161 And 172 Gev, R. Barate, M. Thulasidas
Research Collection School Of Computing and Information Systems
The data recorded by the ALEPH detector at centre-of-mass energies of 161, 170, and 172 GeV are analysed for signals of chargino and neutralino production. No evidence of a signal is found, although candidate events consistent with the expectations from Standard Model processes are observed. Limits at 95% C.L. on the production cross sections are derived and bounds on the parameters of the Minimal Supersymmetric Standard Model are set. The lower limit on the mass of the lightest ch is 85.5 GeV/c2GeV/c2 for gaugino-like charginos (μ=−500GeV/c2μ=−500GeV/c2), and 85.0 GeV/c2GeV/c2 for Higgsino-like charginos (M2=500GeV/c2M2=500GeV/c2), for heavy sneutrinos (Mν~≥200GeV/c2Mν~≥200GeV/c2) and tanβ=2–√tanβ=2. The …
Measurement Of The Axial-Vector Τ Spectral Functions And Determination Of Αs (M2Τ) From Hadronic Τ Decays, R. Barate, M. Thulasidas
Measurement Of The Axial-Vector Τ Spectral Functions And Determination Of Αs (M2Τ) From Hadronic Τ Decays, R. Barate, M. Thulasidas
Research Collection School Of Computing and Information Systems
An analysis based on 124 000 selected ττ pairs recorded by the ALEPH detector at LEP provides the vector (V)(V) and axial-vector (A)(A) spectral functions of hadronic ττ decays together with their total widths. This allows the evaluation of finite energy chiral sum rules that are weighted integrals over the (V−A)(V−A) spectral functions. In addition, a precise measurement of αsαs along with a determination of nonperturbative contributions at the ττ mass scale is performed. The experimentally and theoretically most robust determination of αs(M2τ)αs(Mτ2) is obtained from the (V+A)(V+A) fit that yields αs(M2τ)=0.334±0.022αs(Mτ2)=0.334±0.022 giving αs(M2Z)=0.1202±0.0027αs(MZ2)=0.1202±0.0027 after the extrapolation to the mass …
Ua56/1 Fact Book, Wku Institutional Research
Ua56/1 Fact Book, Wku Institutional Research
WKU Archives Records
Statistical and demographic profile of WKU.
Intrinsic Semiconducting Materials On Phthalocyanine Basis, Michael Hanack
Intrinsic Semiconducting Materials On Phthalocyanine Basis, Michael Hanack
Turkish Journal of Chemistry
Stacked transition metal macrocycles [MacM(L)]$_n$ with M e.g. Fe, Ru, Os, Co, Rh and Mac = phthalocyanine (Pc) 1,2- or 2,3-naphthalocyanine (1,2-, 2,3-Nc) were synthesized. The bridging ligands (L) may be e.g. pyrazine (pyz) or $s$-tetrazine (tz). In general, these complexes [MacM(L)]$_n$ are insoluble in organic solvents; however, soluble oligomers [R$_4$PcM(L)]$_n$ can be prepared using metallomacrocycles R$_n$PcM, R = $t$-bu, et, OR, M = Fe, Ru, which are substituted in the peripheric positions. A systematic investigation of the influence of the bridging ligands on the semiconducting properties in [MacM(L)]$_n$ reveals that changing L, e.g., from dabco over pyz to tz …
Phthalocyanines And Related Compounds: Subunits For The Preparation Of Molecular Materials, J. Garcia, A. Gonzalez, A. Gouloumis, E.M. Maya, M.D. Perez, B.D. Rey, P. Vazquez, T. Torres
Phthalocyanines And Related Compounds: Subunits For The Preparation Of Molecular Materials, J. Garcia, A. Gonzalez, A. Gouloumis, E.M. Maya, M.D. Perez, B.D. Rey, P. Vazquez, T. Torres
Turkish Journal of Chemistry
The design, synthesis, structural and physical characterization and engineering, and the study of the electrical conductivity and the nonlinear optical properties of phthalocyanines and molecular substances related to them, such as subphthalocyanines, hemiporphyrazines and triazolephthalocyanines were reviewed.
Azobenzene Side-Chain Liquid Crystalline Polyesters With Outstanding Optical Storage Properties, S. Hvilsted, M. Pedersen, N.C.R. Holme, P.S. Ramanujan
Azobenzene Side-Chain Liquid Crystalline Polyesters With Outstanding Optical Storage Properties, S. Hvilsted, M. Pedersen, N.C.R. Holme, P.S. Ramanujan
Turkish Journal of Chemistry
A flexible azobenzene side-chain liquid crystalline (SCLC) polyester architecture employed for reversible optical storage is described. The modular design allows four structural parameters to be individually modified. These parameters: {\em i}- the methylene side-chain spacer length, {\em ii}- the substituent on azobenzene, {\em iii}- the methylene main-chain segment length, and {\em iv}- the polyester molecular mass, all influence the optical storage properties. A general synthetic route to novel mesogenic azobenzene diols comprising parameters {\em i} and {\em ii} is outlined. Polyesters with molecular masses (parameter {\em iv}) up to 100,000 are routinely obtained by melt transesterification of the novel diols …
Electropolymerization Of Thiophene With And Without Aniline In Acetonitrile, Muzaffer Can, Kadir Pekmez, Nuran Pekmez, Attila Yildiz
Electropolymerization Of Thiophene With And Without Aniline In Acetonitrile, Muzaffer Can, Kadir Pekmez, Nuran Pekmez, Attila Yildiz
Turkish Journal of Chemistry
The electrooxidation behaviors of thiophene and 3-methylthiophene on a Pt surface in acetonitrile/tetrabutylammonium tetrafluoroborate solution were investigated using cyclic voltammetry. The electropolymerization of these monomers and electrochemical properties of polythiophene and poly(3-methylthiophene) were studied in neutral, acidic and basic media. Mechanisms related to the formation of polymers and electroactivity loss were proposed. The effect of thiophene on the electropreparation and properties of polyaniline were also investigated. The presence of thiophene in solutions of aniline in acetonitrile accelerates the formation and causes an improvement in the conductivity of polyaniline films. Thiophene, which catalyzes the polyaniline formation, enters into the structure of …
Electrochromism Of Sol-Gel Derived Niobium Oxide Films, M. Maçek, B. Orel
Electrochromism Of Sol-Gel Derived Niobium Oxide Films, M. Maçek, B. Orel
Turkish Journal of Chemistry
Niobium oxide films are promising cathodic electrochromics that in many aspects can compete with the more frequently studied WO$_3$ films. The films reported herein were prepared using the sol-gel route from a NbCl$_5$ precursor. The electrochromic properties were pronounced for crystalline films that are heat-treated at 500^oC and exhibited transmittance changes between coloured and bleached states of 60 \% in the UV and 80 \% in the VIS-NIR regions. Improved bleaching and more reversible electrochromism of thick niobium oxide films (d $>$ 250 nm) were obtained by lithiation.
Electrically Conductive Polymer Grafts Prepared By Electrochemical Polymerization Of Pyrrole Onto Poly[(Methyl Methacrylate)-Co-(2-(N-Pyrrolyl) Ethyl Methacrylate)] Electrodes, Nuran Balci, Ural Akbulut, Levent Toppare, Dietmar Stanke, Manfred L. Hallensleben
Electrically Conductive Polymer Grafts Prepared By Electrochemical Polymerization Of Pyrrole Onto Poly[(Methyl Methacrylate)-Co-(2-(N-Pyrrolyl) Ethyl Methacrylate)] Electrodes, Nuran Balci, Ural Akbulut, Levent Toppare, Dietmar Stanke, Manfred L. Hallensleben
Turkish Journal of Chemistry
Pyrrole was grafted on poly[(methyl methacrylate)-co-(2-(N-pyrrolyl) ethyl methacrylate)] (PMMA-co-PEMA) using constant potential electrolyses. The thermal stability of PMMA-co-PEMA was improved as a result of electrochemical grafting with pyrrole. The electrochemical behavior of the films was studied by cyclic voltammetry. Pyrrole was found to be electroactive on PMMA-co-PEMA electrodes.
Dc Conduction In Electrochemically Synthesized Polypyrrole Films, Akif Kaynak
Dc Conduction In Electrochemically Synthesized Polypyrrole Films, Akif Kaynak
Turkish Journal of Chemistry
DC conductivity measurements were performed by modified four-probe rig on electrochemically synthesized polypyrrole films at a temperature range of -30^oC to 120^oC. Conductivity increased with temperature. The temperature dependence of conductivity was very high for lightly doped polymers, decreasing as the doping level increased. The model used to describe the conduction process was the conduction model originally developed for amorphous silicon by Mott and Davis. When applied to conducting polymers, it assumes that electron transport originates from localized or fixed states within the polymer chain. The charge transfer between the chains takes place by hopping, referred to as phonon-assisted hopping, …
Dimerization Of Pyrrole, Mine Yurtsever, Ersin Yurtsever
Dimerization Of Pyrrole, Mine Yurtsever, Ersin Yurtsever
Turkish Journal of Chemistry
Accurate ab-inito quantum mechanical calculations of pyrrole dimers are reported. The thermodynamical stabilities of dimers with $\alpha - \alpha, \alpha - \beta$, and $\beta - \beta$ type linkages are compared in order to predict the possibilities of branching in polypyrroles. Calculations employing large basis sets and including electron correlation effects predict the $\alpha - \alpha$ dimers as the most stable form. However, an $\alpha - \beta$ type bonding requires only 1.5-2.0 kcal/mol, and the energy necessary to introduce a $\beta - \beta$ type bond is 3.6-4.0 kcal/mol. These values show that a high degree of branching is possible even at …
Electrocatalytic Properties Of Platinum Doped Polyaniline And Polypyrrole Electrodes, F. Kadirgan, F. Fiçicioğlu, İ. Beceri̇k
Electrocatalytic Properties Of Platinum Doped Polyaniline And Polypyrrole Electrodes, F. Kadirgan, F. Fiçicioğlu, İ. Beceri̇k
Turkish Journal of Chemistry
This review paper aims to show how the electrochemical behaviour of polyaniline (PANI) and polypyrrole (PPy) electrodes modified by platinum help to improve the oxidation of organic molecules such as methanol, ethylene glycol and glucose. Although the amount of platinum deposited was very small, i.e., 0.1 mg.cm$^{-2}$, the catalytic activity obtained was comparable to bulk platinum. Another notable point is the reduction of the poisoning effect, which is the main problem faced in the electrooxidation of organic molecules for fuel cell applications.
Heat Treatment Of Maceral Groups Obtained From Turkish Bituminous Coals, Elif Sultan Vayi̇soğlu, Nevin Gaye Erbatur
Heat Treatment Of Maceral Groups Obtained From Turkish Bituminous Coals, Elif Sultan Vayi̇soğlu, Nevin Gaye Erbatur
Turkish Journal of Chemistry
The dilatation properties of parent coals and their maceral fractions were examined. In all the coal samples, the main petrographic constituent was the vitrinite maceral. Reflectance of the vitrinite and inertinite macerals increased after carbonization, while the liptinite maceral disappeared and caused large pores in the vitrinite macerals. All of the coals developed anisotropic coke.
Heme Transfer Reactions: An Important Prerequisite For Synthetic Oxygen Carriers, Jan Paul, Wenhua Chen, Per-Ingvar Ohlsson, Michael Smith
Heme Transfer Reactions: An Important Prerequisite For Synthetic Oxygen Carriers, Jan Paul, Wenhua Chen, Per-Ingvar Ohlsson, Michael Smith
Turkish Journal of Chemistry
Electronic changes of iron- and metal free porphyrins are reviewed in light of their importance to modify the ferri/ferro reduction potential and energy dissipation between ligated carbon monoxide and the porphyrin chelate. Substitutions at positions 2 and 4 are effective ways to exercise this influence. Other measures include exposure to water and modifications of axial ligation, including the \lq three-ligand' case. These measures will also influence the stability of recombined hemin-protein entities, as apparent from the kinetics of heme-transfer from a modified donor protein to apomyoglobin, but the stability appears to be related to the bulkiness of 2,4-substitutional groups rather …
The Amido And Bisalkoxo-Complexes Of [Tri(3,5-Dimethylpyrazolyl)Borato]Molydenum Nitrosyl, Işıl Topaloğlu
The Amido And Bisalkoxo-Complexes Of [Tri(3,5-Dimethylpyrazolyl)Borato]Molydenum Nitrosyl, Işıl Topaloğlu
Turkish Journal of Chemistry
In this study, the amido nitrosyl molybdenum complex, [Mo{HM(3,5-Me_2C_3HN_2)_3}(NO)Cl(NH_2)], was prepared. This compound reacts with alocohols, yielding the bisalkoxo complexes, [Mo{HM (3,5-Me_2C_3HN_2)_3}(NO)(OR)_{2}] (R = Me, Et, Pr^n, Bu^n). The new complexes were analyzed by IR and ^1H-NMR spectroscopy.
Thermodynamic Studies Of Some Complexes Of 2-Benzoylpyridine 4-Phenyl-3-Thiosemicarbazone, T. Atalay, E. Güler Akgemci̇
Thermodynamic Studies Of Some Complexes Of 2-Benzoylpyridine 4-Phenyl-3-Thiosemicarbazone, T. Atalay, E. Güler Akgemci̇
Turkish Journal of Chemistry
The stability constants of the Co(II), Ni(II), Cu(II) and Zn(II) complexes with 2-benzoylpyridine 4-phenyl-3-thiosemicarbazone were determined using a spectrophotometric method at different temperatures (25, 30, 35 and 40 $\pm$ 0.1^oC) and ionic strengths (0.05, 0.01 and 0.20 M KNO$_3$) in 50 \% (v/v) aqueous ethanol. Plots of thermodynamic stability constants at zero ionic strength ($\ln$ K^o) versus T$^{-1}$ gave linear curves and $\Delta$ H^o and $\Delta$ S^o were also calculated from these plots. Moreover, the changes in free energy for each metal-ligand system were calculated from the following equation. $\Delta$ G^o = -RT $\ln$ K^o.
The Adsorption Isotherms Of The Bleaching Of Sun Ower-Seed Oil, Hüseyin Topallar
The Adsorption Isotherms Of The Bleaching Of Sun Ower-Seed Oil, Hüseyin Topallar
Turkish Journal of Chemistry
In this study, the absorbance measurements were taken for the bleaching of sunflower-seed oil with wt. 0.3, 0.5, 0.7 and 0.9 % of clay at 60, 70, 80 and 90°C. Bentonite EY-09 was used as the bleaching clay. Since the heat evolved during adsorption (0.33-1.07 kJ mol^{-1}) was less than 20 kJ mol^{-1}, the forces between the adsorbent and adsorbate appear to be van der Waals forces, and this type of adsorption is physical or van der Waals adsorption. Thus, it was seen that the Freundlich equation was more applicable than the Langmuir equation to the experimental adsorption isotherms for …
Recovery Of Copper, Cobalt, Nickel, Cadmium, Zinc And Bismuth From Electrolytic Copper Solution, Fırat Aydin, Ömer Yavuz, Berrin Zi̇yadanoğullari, Recep Zi̇yadanoğullari
Recovery Of Copper, Cobalt, Nickel, Cadmium, Zinc And Bismuth From Electrolytic Copper Solution, Fırat Aydin, Ömer Yavuz, Berrin Zi̇yadanoğullari, Recep Zi̇yadanoğullari
Turkish Journal of Chemistry
An electrolytic Copper Solution (ECS) was electrolyzed using platinum electrodes. Copper was obtained in solid form. In order to precipitate Cd(II), Bi(III), As(III), Sb(III) and the rest of the Cu(II) ions, H_2S gas was passed through the remaining solution. The remaining solution was evaporated to obtain metal sulphates. The sample containing metal sulphates was roasted at temperatures between 550 and 800°C. Cobalt, nickel and zinc in the solid sample remained in the form of metal sulphates, while the iron in the sample was converted into Fe_2O_3. This solid sample was dissolved in water and filtered in order to crystallize the …
Polymerization Of Pyrrole And Thiophene On Polyethylene Adipate Electrodes, Seyfettin Erturan, Burcu Yalvaç, Sena Toraman
Polymerization Of Pyrrole And Thiophene On Polyethylene Adipate Electrodes, Seyfettin Erturan, Burcu Yalvaç, Sena Toraman
Turkish Journal of Chemistry
Polymerizations of pyrrole and thiophene on a platinum foil coated by polyethylene adipate (PEA) were carried out in acetonitrile by electrochemical methods. Different compositions of semi-conducting composite films of PEA/Polypyrrole(PPy), PEA/Polythiophene(PT) were prepared by the electrochemical polymerization of pyrrole and thiophene on PEA electrode. The polymerization was possible only for a certain thickness of the polyethylene adipate(PEA) on the platinum. Conductivities of PEA/PPy, PEA/PT, films at different compositions were obtained. The films were examined by FTIR spectroscopy. The topography of surface films were analyzed by a scanning electron microscope(SEM). The conductivity behaviour of (PEA/PPy), (PEA/PT) films at different compositions when …
Effect Of Alkanols On The Micellar Behavior Of Chromium Laurate, Hüseyin Topallar, Yüksel Bayrak
Effect Of Alkanols On The Micellar Behavior Of Chromium Laurate, Hüseyin Topallar, Yüksel Bayrak
Turkish Journal of Chemistry
The critical micelle concentration, CMC, degree of dissociation, and dissociation constant of chromium laurate in alcohols (methanol, ethanol, propanol-1, butanol-1 and pentanol-1) were determined using conductometric measurements. The results show that chromium laurate behaves as simple electrolyte in dilute solutions below the CMC, and the conductance results can be explained according to Ostwald's formula and Debye-Huckel's theory of electrolytes.
Pixe, Particel Induced X-Ray Emission A Concise Review, A. İnhan Gari̇p
Pixe, Particel Induced X-Ray Emission A Concise Review, A. İnhan Gari̇p
Turkish Journal of Chemistry
PIXE-Particle Induced X-Ray Emission is a multielemental, sensitive and non-estructive method which has been in use in trace elemental analysis since 1970. This review aims to explain the main features of PIXE. References will be given at the end for those that seek more detailed knowledge on the principles and applications of this technique.
Theoretical Studies On The Configurations Of Benzhomobarrelene Derivatives, Rıza Abbasoğlu, Abdullah Menzek, Metin Balci
Theoretical Studies On The Configurations Of Benzhomobarrelene Derivatives, Rıza Abbasoğlu, Abdullah Menzek, Metin Balci
Turkish Journal of Chemistry
Reaction of 7-carbomethoxy-cycloheptatriene with benzyne resulted in the formation of only one benzhomobarrelene isomer, {\bf 5A}. Theoretically, four addition products, {\bf 5A-D}, can be formed from this reaction. Certain molecular mechanic calculations (MM2 force field) have been undertaken on these isomers. It has been shown that the isomers {\bf 5A} and {\bf 5C} have the lowest energies. The non-existence of {\bf 5C} has been discussed in terms of a benzyne approach to a norcaradiene structure. Furthermore, MM2 calculations on two different conformers of {\bf 5A} have revealed that the bisected conformer {\bf 5AE} has the highest strain energy. However, AM1 …