Synthesis,Spectroscopic Studies and Structure of 2-[(Benzo[<Emphasis Type="Italic">d</Emphasis>]thiazol-2-ylamino)methyl]phenol

Abstract  

Schiff base (E)-2-[(benzo[d]thiazol-2-ylimino)methyl]phenol (1) has been synthesized from the reaction of 2-hydroxy-benzaldehyde with 2-aminobenzothiazole. The 2-[(benzo[d]thiazol-2-ylamino)methyl]phenol (2) was prepared reduction of the Schiff base 1 with sodium borohydride. The compounds 1 and 2 have been characterized by elemental analysis, FT-IR, ¹H-NMR, ¹³C-NMR and UV–visible spectroscopic techniques. The structure of the compound 2 has also been examined crystallographically. The compound 2 crystallizes in the monoclinic space group P2/c. The unit cell parameters were found as a = 10.017(1), b = 11.725(1), c = 10.341(1) ?, V = 1208.1(1) ?³, D _x = 1.409 g cm⁻³ and Z = 4. The crystal structure was solved by direct methods and refined by the full-matrix least squares method and found as R ₁ = 0.0308 and wR ₂ = 0.0818 for 2032 for the observed reflections [I > 2σ(I)].     

Theoretical investigation of triazine based a star shape pyrrole monomer

In this work, we report a comprehensive theoretical investigation of electroactive star shaped pyrrole functionalized triazine monomer with two main goals. First goal of this work is to explore the physical and chemical properties of the monomer, then to investigate correlation between the experimental and the theoretical properties of monomer. The scale factor which is calculated from B3LYP/cc-pVDZ was determined as 0.985 for FT-IR and it is an important and reliable contribution to the literature. It is determined that the most appropriate basis set for this molecule. The other novel objective of this research is to investigate temperature effect on displacement of chlorine atoms in 2,4,6-trichloro-1,3,5-triazine. This method applied for the first time in the literature for triazines is especially crucial to the synthesis of unsymmetrical triazines.     

Natural convection in rectangular enclosures with partial heating and cooling

The flow and heat transfer in partially heated and partially cooled cavities were numerically analyzed. Using the control volume approach, a computer program based on SIMPLE algorithm was developed. A square enclosure with variable size heater and cooler on the vertical walls was considered. Computations were carried out to investigate the effects of heater and cooler size on the heat transfer rate. It was observed that for a given cooler size, the mean Nusselt number decreases with increasing heater size. On the other hand, for a given heater size, the mean Nusselt number increases with increasing cooler size. For all Rayleigh numbers considered, the same behavior was observed.

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Natürliche Konvektion in geschlossenen Räumen mit partieller Heizung und Kühlung der Wände

Zusammenfassung Es wurde ein numerisches Modell zur Analyse des Strömungs- und Wärmeübergangsverhaltens in teilweise beheizten und gekühlten Hohlräumen entwickelt und unter Verwendung des Kontrollvolumenprinzips und des Algorithmus SIMPLE als Computer-Programm formuliert. Der Hohlraum ist rechteckig und die variablen Heiz- und Kühlflächen befinden sich auf gegenüberliegenden Vertikalseiten. Hauptziel der Berechnungen war es, den Einfluß der variablen Heiz- und Kühlflächen auf den Wärmeübergang zu ermitteln. Für eine bestimmte Kühlergröße zeigte sich eine Abnahme der gemittelten Nußelt-Zahl mit zunehmender Heizfläche. Andererseits — bei gegebener Heizfläche — stieg die Nußelt-Zahl mit der Kühlfläche an. Dieses Verhalten wurde bei allen untersuchten Rayleighzahlen gefunden.

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Nomenclature g gravitational acceleration - H height of cavity - k thermal conductivity of fluid - l _C cooler size - l _H heater size - mean Nusselt number - Nu _y local Nusselt number - P pressure - Pr Prandtl number - Ra Rayleigh number (Ra = gH ³(T _H –T _C)/()) - T temperature - T _C temperature of cold surface - T _H temperature of hot surface - T _R reference temperature (T _R = (T _C +T _H)/2) - u velocity component inx-direction - x horizontal axis - v velocity component iny-direction - y vertical axis Greek symbols thermal diffusivity - thermal expansion coefficient - density of fluid - stream function - kinematic viscosity     

On the dynamic snap-out instability of inflated non-linear spherical membranes

The dynamic behavior of a spherical membrane, made of Mooney material and subjected to a uniform inflating step-pressure, is studied. Its phase-planes and nondimensional radius versus time curves are plotted for different values of the material constants. The conditions for dynamic snapout instability are discussed. The relations between the static behavior of the membrane and the dynamic instability are pointed out.     

Operator splitting for numerical solution of the modified Burgers' equation using finite element method

The aim of this study is to obtain numerical behavior of a one‐dimensional modified Burgers' equation using cubic B‐spline collocation finite element method after splitting the equation with Strang splitting technique. Moreover, the Ext4 and Ext6 methods based on Strang splitting and derived from extrapolation have also been applied to the equation. To observe how good and effective this technique is, we have used the well‐known the error norms L₂ and L_∞ in the literature and compared them with previous studies. In addition, the von Neumann (Fourier series) method has been applied after the nonlinear term has been linearized to investigate the stability of the method.     

Kernel of the classicalZitterbewegung

Barut's classicalzitterbewegung model includes the internal dynamical variables and the quantization of this system gives a general transition amplitude between the different space-time points and internal coordinates and momentum. It includes the transition amplitude between the half integer and integer spin eigenvalues. Spin eigenfunctions lead to all sets of relativistic wave equations, as well as the Dirac equation.     

Contribution of electrolyte pH and deposition potentials to the magnetic anisotropy of electrodeposited nickel films

The influence of electrolyte pH and cathode potential on the magnetic properties of single layer Nickel films electrodeposited on polycrystalline titanium substrates was studied. The films were deposited at the electrolyte pH=3.5±0.1, 2.5±0.1 and 2.1±0.1 by varying the deposition potentials (?1.2, ?1.5 and ?1.8 V vs saturated calomel electrode, SCE) applied in continuous waveform. The structural analysis by X-ray diffraction revealed that the films have face-centred cubic structure. Results of the magnetic measurements obtained by vibrating sample magnetometer (VSM) indicated that the magnetic properties were affected by the electrolyte pH and the cathode potentials in terms of magnetic anisotropy. At the highest pH the films deposited at the lowest potential had in-plane magnetic anisotropy. As the electrolyte pH decreased from the high (pH=3.5±0.1) to low (pH=2.5±0.1), which is aided by increasing the potentials, resulted in an almost magnetic isotropy in the films. However, isotropic magnetic behaviour was observed for the film deposited at the low pH combined with the high potential (?1.8 V vs SCE). Magnetic thickness profile of the samples obtained by VSM revealed that the isotropic films have a smoother magnetic variation across the film from one edge than the anisotropic ones. This is also verified with a microscopic observation by an optical microscope and the surface of the isotropic films is observed to be smoother than that of the anisotropic ones. Furthermore, all films were found to have planar magnetic anisotropy irrespective of the pH’s and the potentials.     

Numerical solutions of the equal width equation by trigonometric cubic B-spline collocation method based on Rubin–Graves type linearization

In this article, the equal width (EW) equation is going to be solved numerically. In order to show the accuracy of the presented method, six test problems namely single solitary wave, interaction of two solitary waves, interaction of three solitary waves, Maxwellian initial condition, undular bore, and soliton collision are going to be solved. For the first test problem, since it has exact solution, the error norms L₂ and L_∞ are going to be calculated and compared with some of the earlier studies existing in the literature. Moreover, the three invariants I₁, I₂, and I₃ of the given problems during the simulations are calculated and tabulated. Besides those comparisons, the relative changes of the invariants are given. Finally, a comparison of those error norms and invariants has clearly shown that the present approach obtained compatible and better results than most of the earlier works by using the same parameters.     

Keto–enol tautomerism, conformations, and structure of 1-[N-(4-chlorophenyl)]aminomethylidene-2(1H)naphthalenone

1-[N-(4-chlorophenyl)]aminomethylidene-2(1H)naphthalenone (C₁₇H₁₂NOCl) (1) was synthesized and the crystal structure was determined. Compound 1 crystallizes in the monoclinic space group P2₁/n with a = 4.761(3) Å, b = 20.347(1) Å, c = 13.773(2) Å, = 92.89(3)°, V = 1332.4(3) ų, Z = 4, D _c = 1.404 g cm^–3, (Mo K) = 0.28 mm^–1, and R = 0.036 for 2680 reflections [I > 2(I)]. Molecule 1 is not planar, and the dihedral angle between the naphthaldeyde plane A [C1–C11, 01] and the 4-chloroaniline plane B [C12–C17, C11, N1] is 20.1(3)°. An intramolecular hydrogen bond occurs between the hydroxyl oxygen and imine nitrogen atoms [2.528(3) Å]. IR, ¹H NMR, and UV measurements and AM1 semiempirical quantum mechanical calculations support the keto form found in the X-ray structure.