Theoretical Study of Charge Transfer in Styryl Thiazilo Quinoxaline Dyes STQ-1, STQ-2,and  STQ-3 in Organic Media System

Hadi.J.Mujbel.  AL-agealy; Khaled.H Harbbi; Mohsin.A Hassooni; Rafah.I Noori

doi:10.21123/bsj.2013.10.4.1262-1268

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Publication Date

Sun Dec 01 2013

Journal Name

Baghdad Science Journal

Volume

10

Issue Number

4

DOI

10.21123/bsj.2013.10.4.1262-1268

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Theoretical Study of Charge Transfer in Styryl Thiazilo Quinoxaline Dyes STQ-1, STQ-2,and STQ-3 in Organic Media System

Theoretical study

Charge transfer

STQ-1

STQ-2

and STQ-3 dye.

Hadi.J.Mujbel. AL-agealy

Khaled.H Harbbi

Mohsin.A Hassooni

Rafah.I Noori

...Show More Authors

Charge transfer in styryl dyes STQ-1, STQ-2,and STQ-3 with organic media system has been studied theoretically depending on the Franck- Condon rule and continuum dielectric model . The reorientation energies (eV) were evaluated theoretically depending on dipole momentum, dielectric constant , and refrective index n. The rate constant of charge transfer has been calculated depending on the reorientation energy (eV) ,effective free energy , potential height barrier , and coupling coefficient . A matlap program has been written to calculated the rate constant of charge transfer and other parameter. The results of calculations show that STQ-2 dye is more reaction for charge transfer compare with STQ-1 and STQ-3 dyes

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Publication Date

Wed Aug 09 2017

Journal Name

Ibn Al-haitham Journal For Pure And Applied Sciences

Synthesis and Antimicrobial Evaluation of Some Bis-1, 3, 4-Butane-1-3, 4-Oxadiazole Derivatives

H.I.

...Show More Authors

A series of new Bis-1,4-Butane -1,3,4 â€“ Oxadizole derivatives [III a-j] were synthesized from adipic acid dihydrazide and different aromatic acids in the presence of phosphours oxychloide. There compounds were characterized by their IR, microanalysis, and mass spectral data. In vitro antimicrobial were synthesized. In vitro antimicrobial activity of these compounds against (Gram negative) and (Gram positive) were reported, some of these compounds prepared derivatives exhibited antimicrobial activity

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Publication Date

Sun Dec 01 2024

Journal Name

Baghdad Science Journal

Synthesis, Characterization and Antioxidant Study of Some Metal Ion Complexes with Azo 1-(2,4,6-trihydroxy-3-((3-hydroxyphenyl) diazenyl) phenyl) Ethan-1-one.

Areeg

Abbas

Saad

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اثناء تفاعل الديزنة تكونت صبغة أزو جديدة عن طريق تفاعل 3-امينوفينول مع 2,4,6-ثلاثي هيدروكسي اسيتوفينون . ثم تم تفاعل هذا الليكاند مع بعض ايونات العناصر الكروم والحديد الروديوم والروثينيوم بتكفؤهم الثلاثي والكوبلت الثنائي والموليبدينوم سداسي التكافؤ مكونة معقدات فلزية مختلفة بأشكال هندسية متعددة. تم ملاحظة تناسق مجموعة الازو مع ايونات العناصر من خلال ملاحظة ظهور حزم امتصاص الفلز مع النتروجين والاوكسجين ب

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(2)

Publication Date

Thu Dec 28 2017

Journal Name

Ibn Al-haitham Journal For Pure And Applied Sciences

Spectrophotometric Determination of Sulfamethoxazole Based on Charge-Transfer Complexation with Sodium Nitroprusside

spectrophotometric determination

sulfamethoxazole

sodium nitroprusside

charge-transfer complexation.

Tariq Y.

Sarmad B.

Alaa K.

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A simple, accurate and precise spectrophotometric method has been developed for the analysis of sulfamethoxazole (SMZ) in pure form and pharmaceutical preparation. The method involves a direct charge transfer complexation of sulfamethoxazole (SMZ) with sodium nitroprusside (SNP) in alkaline medium and the presence of hydroxyl amine hydrochloride. Variables affecting the formation of the formed orange colored complex were optimized following two approaches univariate and central composite experimental design (CCD) multivariate. Under optimum recommended conditions, the formed complex exhibits Î»max at 512 nm and the method conforms Beer's law for SMZ concentration in the range of 5.0-150.0 (Âµg.mL-1) with molar absorptivi

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(1)

Publication Date

Sat Dec 30 2017

Journal Name

Ibn Al-haitham Journal For Pure And Applied Sciences

Charge Transfer Between d-p States in Ti02 By Employing Compton Scattering Techniques

F.M

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The com pton profiles for Ti02 have been measured using a SCi

Am-241 compton spectrometer .A pellet of the oxide was prepared from a polycrystalline powder having a thickness of 1.54 mm ,about J 00000 counts have been accumulated at the compton peak

.Theoreti cal compton profiles have been calculated for different ionic anangements using free atom compton profile for the core electrons.The theoretical and experimental results ahrce well for (Ti/4(0 .2 arrangement which support complete transfer of valence electrons from metal to oxygen ions, i.e., full ionic &nbs

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Publication Date

Sun Feb 10 2019

Journal Name

Journal Of The College Of Education For Women

Space-Charge Effect on the Theoretical Design of Enzil Lens

م.ﻧﺪى ﻋﺒﺪ اﻟﻔﺘﺎح

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The presentwork is a theoretical study in the field of charged particle optics. It concentrates on the design of electrostatic enzil lens for focusing charge particles beams, using inverse method in designingthe electrostatic lens. The paraxial ray equation was solved to obtain the trajectory of the particles, the optical properties such as the focal length and spherical and chromatic aberration coefficients were determined. The shape of the electrode of the electrostatic lens were determined by solving poison equation and the results showed low values of spherical and chromatic aberrations, which are considered as good criteria for good design.

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Publication Date

Sat Sep 01 2018

Journal Name

Polyhedron

Novel dichloro (bis {2-[1-(4-methylphenyl)-1H-1, 2, 3-triazol-4-yl-κN3] pyridine-κN}) metal (II) coordination compounds of seven transition metals (Mn, Fe, Co, Ni, Cu, Zn and Cd)

The 1

3-dipolar cycloaddition “click” reaction between an azide and an alkyne to give a 1

2

3-triazole was reported by Huisgen in 1961 [1]. In 2002 the Copper(I)-catalyzed Azide-Alkyne Cycloaddition (CuAAC) to prepare a 1

2

3-triazole was reported [2]

[3]. The existence of relatively basic nitrogen atoms in the 1

2

3-triazole rings

and the possibility of introducing additional donor groups in the substituents (Fig. 1)

made the CuAAC “click” reaction an attractive method to prepare differently substituted 1

2

3-triazoles. These compounds have been used as ligands to coordinate to various metal ions that display a range of applications such as in electrochemical and photochemical studies

in supramolecular chemistry

magnetism

metal-ion sensing and catalysis [4]. The reasons for the success of the “click” reaction

is that it is easy to carry out and is widely applicable. It is not affected by a variety of functional groups

and can be carried out with a variety of Cu(I) catalysts and solvents

including aqueous conditions. The Cu(I) catalysts overcome the high activation energy barrier of the non-catalyzed Huisgen reaction by changing the mechanism of the reaction. A large variety of copper catalysts can be used for the CuAAC reaction

on condition that the maximum concentration of Cu(I) species is generated during the reaction. The pre-catalyst can be a Cu(II) salt (usually CuSO4) together with a reducing agent (often sodium ascorbate) or a Cu(I) compound in the presence of a base or amine ligand and a reducing agent to prevent oxidation to Cu(II). Some strong oxidising cupric salts or complexes such as Cu(OAc)2 also work. The solvent is very flexible from organic to aqueous

with the most commonly used combination water + an alcohol (t-BuOH

MeOH or EtOH). The key role of the solvent or solvent mixture is to solubilize the substrates and Cu(I) catalyst in order to ensure rapid reactions. Such aqueous conditions are very useful for biochemical conjugations

as well as for organic syntheses. We recently reported on the synthesis of a series of differently substituted 1

2

3-triazole chromophores

the substituted 2-(1-phenyl-1H-1

2

3-triazol-4-yl)pyridine ligands [5]

see Fig. 2 middle

with substituents R = H (L1)

CH3 (L2)

OCH3 (L3)

COOH

F

Cl

CN

CF3

O(CH2)3CH3 and N(CH3)2. These versatile ligands were found to coordinate to various first row transition metals

such as manganese

cobalt and nickel [6]. Here we extend the series to include more first row transition metal(II) coordination compounds

iron

copper and zinc

as well as a second row transition metal(II) coordination compound

cadmium

containing the 2-(1-(4-methyl-phenyl)-1H-1

2

3-triazol-1-yl)pyridine chromophore (Fig. 2 right with R = CH3). This series of seven novel coordination compounds is the first series of pyridyl-triazole based transition metal coordination compounds where seven different transition metals are coordinated to the same 1

2

3-triazole chromophore

namely 2-(1-(4-methyl-phenyl)-1H-1

2

3-triazol-1-yl)pyridine.

Kinaan M

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Publication Date

Mon Jan 01 2018

Journal Name

Aip Conference Proceedings

Theoretical study of electronic transfer current rate at dye-sensitized solar cells

Hadi J. M.

Taif Saad

Mohsin A.

Abbas K.

Ahmed M.

Hind Abdlmajeed

Rawnaq Qays

...Show More Authors

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(12)

(9)

Publication Date

Sun Jan 01 2017

Journal Name

Al-qadisiyah Journal Of Pure Science

Synthesis and Spectroscopic Studies of Some Metal Complexes of [3-(3-(2-chloroacetyl)thioureido)pyrazine-2-carboxylic acid]

3-Amino pyrazine-2-carboxelic acid

chloroacetyl isothiocyanate

complexes

Basima M sarhan

...Show More Authors

A new ligand [3(3(2chloroacetyl) thioureido)pyrazine-2-carboxyliIcacid](CPC)was synthesized by reaction of rized by imicro elmental analysis C.H.N.S.,FT-IR,UV-Vis and 1H-13CNMR spectra, some transition metals complex ofIthis ligand were Prepared and characterized byiFT-IR,UV-Vis spectra conductivity measurements magnetic susceptibility and atomic absorption. From the obtained results the molecular formula of all prepared complexes were[M(CPC)2](M+2i=Mn. Co, Ni, Cu, Zn, Cd and Hg),the proposedi geometrical structure for all complexes were as tetrahedral geometry except copper complex has square planer geometry.

Publication Date

Mon Jun 19 2023

Journal Name

Journal Of Engineering

Organic Solid Waste in Vessel Composting System

Compost

sodium acetate

biogas

mature compost

germination test

solid waste management.

Jathwa Abdul Karime

Al Taib Mohammed

...Show More Authors

Low-level microbial activity due to the production of organic acids is a recognized problem during the initial phase of food waste composting. Increasing such activity levels by adjusting the pH values during the initial composting phase is the primary objective to be investigated. In this study, sodium acetate (NaoAc) was introduced as an amendment to an in-vessel composting system. NaoAc was added when the pH of the compost mixture reached a low level (pH < 5), the addition increased pH to 5.8. This had a positive effect on the degradation of organic materials i.e. the formation of methane gas compared to the results without NaoAc addition.

The results also proved that anaerobic-aerobic in-vessel composting could reduce the

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(1)

Publication Date

Tue Mar 14 2017

Journal Name

Ibn Al-haitham Journal For Pure And Applied Sciences

Uni and Multivariate Optimization for the Spectrophotometric Determination of Cimetidine Drug via Charge-Transfer Complex Formation

: Simplex

Spectrophotometric

Cimetidine

Charge- transfer.

Sarmad

Alaa

Ali

...Show More Authors

Charge transfer complex formation method has been applied for the spectrophotometric determination of cimetidine, in bulk sample and dosage form. The method was accurate, simple, rapid, inexpensive and sensitive depending on the formed charge- transfer complex between cited drug and, 2,3-Dichloro-5,6-dicyano-p- benzoquinone (DDQ) as a chromogenic reagent. The formed complex shows absorbance maxima at 587 nm against reagent blank. The calibration graph is linear in the ranges of (5.0 - 50.0) Âµg.mL-1 with detection limit of 0.268Âµg.mL-1. The results show the absence of interferences from the excipients on the determination of the drug. Therefore the proposed method has been successfully applied for the determination of cimetid

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