Depression Performance of Azo Dyes to Sulfide Minerals

2011 ◽  
Vol 287-290 ◽  
pp. 3074-3080
Author(s):  
Li Hong Lan ◽  
Jian Hua Chen ◽  
Ping Lan ◽  
Mei Lian Liang ◽  
Ye Chen
Keyword(s):  
Azo Dyes ◽  
Sulfide Minerals ◽  
Frontier Molecular Orbital ◽  
Azo Compounds ◽  
Orbital Energy ◽  
Energy Calculation ◽  
Mineral Surfaces ◽  
Good Adhesion ◽  
Azo Compound ◽  
Azo Group

Azo dyes have strong hydrophilic and good adhesion to solid surface. In this study, 23 kinds of typical azo compounds were tested as depressant of sulfide minerals. Absorption of azo compound on mineral surfaces was detected by UV. The result shows that some of them can be good depressants of single sulfide minerals. With the number of azo group increasing from 1 to 3, depression performances are improved. On the other hand, depression performances of azo dye are related to the type of group and the location of phenyls，the results of adsorption and the frontier molecular orbital energy calculation may be used to explain depression performances of azo dyes.

Reactions of Tertiary Butyl Hypochlorite. I. The Chlorination of Aromatic Nitroamines

1959 ◽  
Vol 12 (3) ◽  
pp. 430 ◽  
Author(s):  
KH Pausacker ◽  
JG Scroggie
Keyword(s):  
Azo Compounds ◽  
Direct Oxidation ◽  
Tertiary Butyl ◽  
Azo Compound

Tertiary butyl hypochlorite reacts with 2-nitroaniline, 4-nitroaniline, N-methyl-4-nitroaniline, and NN-dimethyl-4-nitroaniline to form excellent yields of nuclear-chlorinated derivatives. Direct oxidation, to form azo compounds, is also observed with 4-nitroaniline and the yield of azo compound increases at higher temperatures. Demethylation also occurs when N-methyl-4-nitroaniline and NN-dimethyl-4-nitro-aniline are used.

scholarly journals QTAIM investigation of bis(pyrazol-1-yl)methane derivative and its Zn(II) complexes (ZnLX2, X=Cl, Br or I)

2015 ◽  
Vol 80 (8) ◽  
pp. 997-1008 ◽  
Author(s):  
Maryam Dehestani ◽  
Leila Zeidabadinejad
Keyword(s):  
Molecular Orbital ◽  
Critical Points ◽  
Structural Parameters ◽  
Frontier Molecular Orbital ◽  
Orbital Energy ◽  
Theory Approach ◽  
Topological Parameters ◽  
Molecular Orbital Energy ◽  
Highest Occupied Molecular Orbital ◽  
Lowest Unoccupied Molecular Orbital

Topological analyses of the electron density using the quantum theory of atoms in molecules (QTAIM) have been carried out at the B3PW91/6-31g (d) theoretical level, on bis(pyrazol-1-yl)methanes derivatives 9-(4-(di (1H-pyrazol-1-yl)-methyl)phenyl)-9H-carbazole (L) and its zinc(II) complexes: ZnLCl2 (1), ZnLBr2 (2) and ZnLI2 (3). The topological parameters derived from Bader theory were also analyzed; these are characteristics of Zn-bond critical points and also of ring critical points. The calculated structural parameters are the frontier molecular orbital energies highest occupied molecular orbital energy (EHOMO), lowest unoccupied molecular orbital energy (ELUMO), hardness (?), softness (S), the absolute electronegativity (?), the electrophilicity index (?) and the fractions of electrons transferred (?N) from ZnLX2 complexes to L. The numerous correlations and dependencies between energy terms of the Symmetry Adapted Perturbation Theory approach (SAPT), geometrical, topological and energetic parameters were detected and described.

scholarly journals Theoretical Study of Solvent Effects on the Electronic and Thermodynamic Properties of Tetrathiafulvalene (TTF) Molecule Based on DFT

2021 ◽  
pp. 42-54
Author(s):  
Rabiu Nuhu Muhammad ◽  
N. M. Mahraz ◽  
A. S Gidado ◽  
A. Musa
Keyword(s):  
Thermodynamic Properties ◽  
Bond Length ◽  
Density Functional ◽  
Theoretical Study ◽  
Energy Gap ◽  
Basis Set ◽  
Basis Sets ◽  
Frontier Molecular Orbital ◽  
Orbital Energy ◽  
Chemical Hardness

Tetrathiafulvalene () is an organosulfur compound used in the production of molecular devices such as switches, sensors, nonlinear optical devices and rectifiers. In this work, a theoretical study on the effects of solvent on TTF molecule was investigated and reported based on Density Functional Theory (DFT) as implemented in Gaussian 03 package using B3LYP/6-31++G(d,p) basis set. Different solvents were introduced as a bridge to investigate their effects on the electronic structure. The HUMO, LUMO, energy gap, global chemical index, thermodynamic properties, NLO and DOS analysis of the TTF molecule in order to determine the reactivity and stability of the molecule were obtained. The results obtained showed that the solvents have effects on the electronic and non-linear-optical properties of the molecule. The optimized bond length revealed that the molecule has strong bond in gas phase with smallest bond length of about 1.0834Å than in the rest of the solvents. It was observed that the molecule is more stable in acetonitrile with HOMO-LUMO gap and chemical hardness of 3.6373eV and 1.8187eV respectively. This indicates that the energy gap and chemical hardness of TTF molecule increases with the increase in polarity and dielectric constant of the solvents. The computed results agreed with the results in the literature. The thermodynamics and NLO properties calculation also indicated that TTF molecule has highest value of specific heat capacity (Cv), total dipole moment () and first order hyperpolarizability () in acetonitrile, while acetone has the highest value of entropy and toluene has a slightly higher value of zero point vibrational energy (ZPVE) than the rest of the solvents. The results show that careful selection of the solvents and basis sets can tune the frontier molecular orbital energy gap of the molecule and can be used for molecular device applications.

Photolysis of unsymmetric azo compounds. cis Azo compound intermediates

1973 ◽  
Vol 95 (13) ◽  
pp. 4361-4367 ◽  
Author(s):  
Ned A. Porter ◽  
Lawrence J. Marnett
Keyword(s):  
Azo Compounds ◽  
Azo Compound

The Effect of Selected Pretreatments on the Dyeing and Color Properties and pH-Sensitivity of Wools Dyed with Metallized Azo Dyes

1977 ◽  
Vol 47 (1) ◽  
pp. 18-24
Author(s):  
Howard L. Needles
Keyword(s):  
Azo Dyes ◽  
Ph Sensitivity ◽  
Sodium Dichromate ◽  
Color Properties ◽  
Dyeing Properties ◽  
Phosphonium Chloride ◽  
Cuprous Sulfate ◽  
Color Differences ◽  
Azo Group

The effect of tetrakis(hydroxymethyl)phosphonium chloride (THPC) and peroxydisulfate (PS) anion pretreatments on the dyeing properties of wool with metallized azo dyes was studied and characterized. Chrome-metallized azo dyes containing pyrazolone or acetoacetanilide moieties dyed THPC and PS-treated wools to different shades than those found for untreated wool, whereas treated and untreated wools dyed with chrome-metallized azo dyes containing aromatic benzenoid rings on both sides of the azo group gave much smaller color differences. The particular mordant used did not significantly affect the nature of color differences observed when treated and untreated wools dyed with mordant dyes containing a pyrazolone moiety were metallized; however, the pH-sensitivity of the mordant-dyed wools was reduced by metallization, with sodium dichromate and cuprous sulfate metallization providing the greatest degree of stabilization.

scholarly journals SPREADING PROPERTY OF AZOPROTEINS IN THE DERMIS

1935 ◽  
Vol 62 (2) ◽  
pp. 229-244 ◽  
Author(s):  
Albert Claude
Keyword(s):  
Molecular Weight ◽  
Protein Molecule ◽  
Azo Compounds ◽  
Skin Permeability ◽  
Low Molecular Weight ◽  
Direct Proportion ◽  
Rabbit Skin ◽  
Aromatic Derivative ◽  
Azo Group ◽  
Spreading Property

1. Azoproteins are shown to have the property of spreading when introduced intradermally into the rabbit skin. 2. The aromatic derivative selected for the coupling does not affect specifically the spreading property of the azoprotein. Likewise, the type of protein has no importance, except in quantitative respects. 3. The spreading property conferred upon a protein by coupling appears to derive from the presence of the azo group. 4. The spreading power of an azoprotein preparation seems to be determined by the number of diazo groups which enter the protein molecule, and to vary in direct proportion with the concentration of the solution. 5. Azo compounds of low molecular weight fail to exhibit any significant effect on skin permeability.

scholarly journals Novel edaravone-based azo dyes: efficient synthesis, characterization, antibacterial activity, DFT calculations and comprehensive investigation of the solvent effect on the absorption spectra

RSC Advances ◽  
2020 ◽  
Vol 10 (59) ◽  
pp. 35729-35739
Author(s):  
Mohammad Amin Davasaz Rabbani ◽  
Behzad Khalili ◽  
Hamid Saeidian
Keyword(s):  
Antibacterial Activity ◽  
Dft Calculations ◽  
Solvent Effect ◽  
Absorption Spectra ◽  
Azo Dyes ◽  
Drug Combination ◽  
Azo Compounds ◽  
Efficient Synthesis ◽  
Comprehensive Investigation ◽  
Anions And Cations

The present study deals with designing and synthesizing novel dyes using the drug combination of edaravone and azo compounds which can be used as an indicator for anions and cations.

The reductive halogenation of aromatic azo compounds

1975 ◽  
Vol 28 (10) ◽  
pp. 2327 ◽  
Author(s):  
BD Wilkinson ◽  
DAR Happer
Keyword(s):  
Nucleophilic Addition ◽  
Aromatic Nucleus ◽  
Azo Compounds ◽  
Hydrogen Halides ◽  
Azo Group ◽  
Aromatic Azo Compounds

The conversion of compounds of the type Ar-N=N-Y into p-X-ArNHNHY by the reaction with hydrogen halides has been re-examined and has been found to be not as general a reaction as expected. The most likely mechanism is one involving nucleophilic addition of halide ion to the aromatic nucleus at the position para to the azo group, this being facilitated by the strong -R character of the -N=N-YH+ substituent. This addition is made essentially irreversible by a series of prototropic shifts resulting in the formation of a stable hydrazo compound.

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