scholarly journals Interactions in Electrodeposited Poly-3,4-Ethylenedioxythiophene—Tungsten Oxide Composite Films Studied with Spectroelectrochemistry

Polymers ◽  
2021 ◽  
Vol 13 (10) ◽  
pp. 1630
Author(s):  
Aleksandra O. Efremova ◽  
Elena G. Tolstopjatova ◽  
Rudolf Holze ◽  
Veniamin V. Kondratiev
Keyword(s):  
Tungsten Oxide ◽  
Absorption Spectra ◽  
Conducting Polymer ◽  
Electronic Absorption ◽  
Electrostatic Interactions ◽  
Electronic Absorption Spectra ◽  
Composite Films ◽  
Cyclic Voltammograms ◽  
Absorption Bands ◽  
Peak Separation

Cyclic voltammograms and optical absorption spectra of PEDOT/WO3 composite films were recorded in order to identify possible interactions and modes of improved performance of the composite as compared to the single materials. Changes in the shape of redox peaks related to the W(VI)/W(V) couple in the CVs of WO3 and the composite PEDOT/WO3 films indicate electrostatic interactions between the negatively charged tungsten oxide species and the positively charged conducting polymer. Smaller peak separation suggests a more reversible redox process due to the presence of the conducting polymer matrix, accelerating electron transfer between tungsten ions. Electronic absorption spectra of the materials were analyzed with respect to changes of the shapes of the spectra and characteristic band positions. There are no noticeable changes in the position of the electronic absorption bands of the main chromophores in the electronic spectra of the composite film. Obviously, the interactions accelerating the redox performance do not show up in the optical spectra. This suggests that the existing electrostatic interactions in the composite do not significantly change the opto-electronic properties of components of the composite but resulted in the redistribution of fractions of polaron and bipolaron forms in the polymer.

Spectroelectrochemical Study of some μ3-Oxo-μ-acetato Trinuclear Rhodium(III) and Iridium(III) Complexes

1995 ◽  
Vol 50 (4) ◽  
pp. 551-557 ◽  
Author(s):  
Kenta Takahashi ◽  
Keisuke Umakoshi ◽  
Akihiro Kikuchi ◽  
Yoichi Sasaki ◽  
Masato Tominaga ◽  
...  
Keyword(s):  
Absorption Spectrum ◽  
Electronic Absorption Spectrum ◽  
Absorption Spectra ◽  
Electronic Absorption ◽  
Electronic Absorption Spectra ◽  
Visible Region ◽  
Absorption Bands ◽  
Visible Absorption ◽  
The One ◽  
Species Being

New trinuclear rhodium(III) complexes, [Rh3(μ3-O)(μ-CH3COO)6(L)3]+ (L = imidazole (Him), 1-methylimidazole (Meim), and 4-methylpyridine (Mepy)) have been prepared. The Him, Meim, and Mepy complexes show reversible one-electron oxidation waves at E1/2 = +1.12, +1.12, and +1.28 V vs Ag/AgCl, respectively, in acetonitrile. Electronic absorption spectra of the one electron oxidized species of these complexes and [Rh3(μ3-O)(μ-CH3COO)6(py)3]+ (py = pyridine) (E1/2 = +1.32 V ) were obtained by spectroelectrochemical techniques. While the Rh3(III,III,III) states show no strong visible absorption, the Rh3(III,III,IV ) species give a band at ca. 700 nm (ε = 3390-5540 mol dm-3 cm-1). [Ir3(μ3-O)(μ-CH3COO)6(py)3]+ with no strong absorption in the visible region, shows two reversible one-electron oxidation waves at +0.68 and +1.86 V in acetonitrile. The electronic absorption spectrum of the one-electron oxidized species (Ir3(III,III,IV )) also shows some absorption bands (688 nm (ε, 5119), 1093 (2325) and 1400 (ca. 1800)). It is suggested that the oxidation removes an electron from the fully occupied anti-bonding orbital based on metal-dπ-μ3-O-pπ interactions, the absorption bands of the (III,III,IV ) species being assigned to transitions to the anti-bonding orbital.

Spectral and electrochemical study of coordination molecules Cu4OX6L4: 3-Methylpyridine and 4-Methylpyridine Cu4OBrnCl(6−n)L4 complexes

2006 ◽  
Vol 60 (1) ◽  
Author(s):  
G. Ondrejovič ◽  
A. Kotočová
Keyword(s):  
Absorption Spectra ◽  
Electronic Absorption ◽  
Electronic Absorption Spectra ◽  
Far Infrared ◽  
High Energy ◽  
Low Energy ◽  
Ligand Field ◽  
Cyclic Voltammograms ◽  
Energy Bands ◽  
Trigonal Bipyramidal

AbstractThe tetranuclear Cu4OBrnCl(6-n)L4 complexes, where L = 3-methylpyridine (3-Mepy), 4-methylpyridine (4-Mepy) and n=0–6 with trigonal bipyramidal coordination of copper(II) were prepared and their infrared and electronic absorption spectra as well as cyclic voltammograms in nitromethane solutions were measured. The polyhedra in Cu4OBrnCl(6−n) (3-Mepy)4 molecules are less distorted comparing with those of 4-Mepy analogues as indicated by infrared Cu4O absorptions, far infrared Cu—Br, Cu—Cl, and Cu—N absorptions, d—d bands in electronic spectra and potentials, measured by cyclic voltammetry. The 3-Mepy complexes exhibit strong single infrared Cu4O absorptions, while for related 4-Mepy complexes doubly split Cu4O bands were observed. Two strongly overlapped d—d bands in electronic absorption spectra of the 3-and 4-Mepy complexes in nitromethane were resolved by Gaussian fitting. The 4-Mepy ligand produces slightly stronger ligand field than its 3-Mepy analogue. The maxima of high-energy d—d bands are in a linear correlation with the number of bromide ligands. The correlations for corresponding low-energy bands are considerably deviated from linearity. The halfwave potentials of the complexes in nitromethane correlate with both the number of bromides and the data of electronic absorption spectra suggesting that the reducing electron at the electrode process enters the half-filled d z 2 orbital of the copper(II) atom. The origin of a difference between the 3-and 4-Mepy complexes in their spectral and electrochemical properties is also discussed.

scholarly journals Electronic spectra of carbon chains of relevance to astrophysics

1997 ◽  
Vol 178 ◽  
pp. 287-294
Author(s):  
John P. Maier
Keyword(s):  
Absorption Spectra ◽  
Electronic Absorption ◽  
Electronic Spectra ◽  
Homologous Series ◽  
Electronic Absorption Spectra ◽  
Absorption Bands ◽  
Carbon Chains ◽  
Diffuse Interstellar Bands ◽  
Spectroscopic Characteristics

The electronic absorption spectra of a variety of carbon chains have been identified in the laboratory. The measurements were carried out in 5 K neon matrices on mass-selected species. On the basis of the trends evident in the homologous series, it can be predicted in which region absorption bands of the carbon chains are to be expected for the not yet measured longer and isoelectronic species. The spectroscopic characteristics, photostability and structural considerations point out which and what size carbon chains could be the diffuse interstellar bands absorbers.

scholarly journals Spectral and quantum chemical study of tautomeric and ion transformations of 2-(2-(2-hydroxy-5-sulfamoylphenyl)- hydrazono)-3-oxo-N-phenylbutanamide

2019 ◽  
Vol 60 (11) ◽  
pp. 106-113
Author(s):  
Anh Thi Ngoc Vu ◽  
◽  
Mikhail A. Ryabov ◽  
Olga V. Kovalchukova ◽  
Dmitry S. Gusarov ◽  
...  
Keyword(s):  
Absorption Spectra ◽  
Electronic Absorption ◽  
Quantum Chemical ◽  
Electronic Absorption Spectra ◽  
Bathochromic Shift ◽  
Stable Form ◽  
Ionic Form ◽  
Absorption Bands ◽  
Tautomeric Forms ◽  
The Stability

In this paper, using the method DFT/B3LYP of quantum chemical modeling, the stability of tautomeric, conformer, and anionic forms of 2-(2-(2-hydroxy-5-sulfamoylphenyl)hydrazone-3-oxo-N-phenylbutanamide (H2L) was studied and the geometric, electronic structure and bond lengths of molecules in various tautomeric forms were determined. It was shown that the stability of tautomeric molecules H2L as anionic forms was determined by the number of existing intermolecular hydrogen bonds (closing six-membered and five-membered cycles). The most stable tautomeric and conformal forms of an organic molecule and its dianion are proposed. The interatomic distances, angles, charges on atoms, IR and electronic absorption spectra of tautomeric forms of the molecule and dianion (H2L and L2-) were calculated. In this work, we studied the electronic absorption spectra in an aqueous-alcoholic solution and found that in an alkaline medium the molecule transforms into the ionic form with a bathochromic shift of 47 nm, corresponding to the results of the shift of the long-wavelength band electronic absorption spectra upon transition from the hydrazotautomer (form a) to the dianion form (form b’’) at 92 nm obtained by TD-DFT. The calculated results for the distance and angles between atoms are in good agreement with the experimental data of the molecule by X-ray diffraction analysis. It was shown that the IR spectrum of the stable form appears two absorption bands in the region of 1690 and 1655 cm–1, which are attributed to stretching vibrations of carbonyl groups (C=O), bound by a strong intramolecular hydrogen bond and the presence of the NH-hydrazone fragment of the 1H NMR spectrum confirmed the most stable for a neutral molecule is the hydrazone form.

Electrochemistry of Acetate-, Carbonate-, Sulfate-, and Dihydrogenphosphate-Bridged Dirhodium(II) Complexes

2003 ◽  
Vol 58 (6) ◽  
pp. 563-570 ◽  
Author(s):  
Ș. Özalp Yaman ◽  
A. M. Önal ◽  
H. Isci
Keyword(s):  
Absorption Spectra ◽  
Electronic Absorption ◽  
Electronic Absorption Spectra ◽  
Relative Energy ◽  
Axial Ligand ◽  
Electrolysis Cell ◽  
Cyclic Voltammograms ◽  
Reduction Potentials ◽  
Axial Ligands ◽  
Constant Potential

Complexes, [Rh2(B-B)4L2]n (B-B = CH3COD2 , L = CH3CN, H2O, Cl-, Br-, SCN-; B-B = CO2-3 , SO2-4 , H2PO4̄, L =H2O, Cl-, Br-, SCN-) were prepared and their cyclic voltammograms (CV) and electronic absorption spectra were measured in solution. The CV of the complexes exhibits a reversible one-electron transfer from a metal-based orbital. Constant potential electrolysis at the oxidation peak potential of [Rh2(O2CCH3)4(NCCH3)2] in acetonitrile yielded [Rh2(O2CCH3)4(NCCH3)2]+, a mixed valent Rh(II)DRh(III) cation complex. The formation of the mixed valent complex was monitored by measuring electronic absorption spectra of the solution in situ during the oxidative electrolysis. The reductive electrolysis of the mixed valent complex solution, in the same electrolysis cell, yielded the original electronic absorption spectrum of the starting complex. The changes in the oxidation and reduction potentials of the complexes with different axial ligands, L = H2O, Cl-, Br-, SCN-, are correlated to the relative energy changes of HOMO and LUMO of the complexes, which indicates the metal-axial ligand σ- and π-bonding interactions. Spectroscopic and CV data indicate that the degree of σ-interaction is Cl- > Br- > SCN-, and that of π-interaction is Br- > SCN- > Cl-.

scholarly journals Luminescent determination of residues of trazodon hydrochloride and melatonin after cleaning pharmaceutical equipment

2019 ◽  
pp. 73-81
Author(s):  
O. D. Voitiuk ◽  
A. V. Yegorova ◽  
Yu. V. Scrypynets ◽  
S. N. Kashutskуy ◽  
V. P. Antonovich
Keyword(s):  
Absorption Spectra ◽  
Electronic Absorption ◽  
Electronic Absorption Spectra ◽  
Xenon Lamp ◽  
Excitation Spectra ◽  
Absorption Bands ◽  
Limit Of Quantitation ◽  
Trazodone Hydrochloride

A prerequisite for ensuring the quality of medicines is their production in accordance with the rules of GMP (Good Manufacturing Practice for Medicinal Products), one of the most important requirements of which is equipment cleaning. In many cases, the same equipment is used in the production of various preparations. Therefore, to prevent contamination of each of the following drugs, the previous one, it is very important to carry out an effective equipment cleaning procedure with a mandatory assessment of its purity. The purpose of this study was to develop simple, express, selective methods for luminescent determination of residual quantities of APIs of trazodone hydrochloride (TG) and melatonin (MT) in washes to control the completeness of their removal when cleaning process equipment. The excitation and luminescence spectra were recorded using a Cary Eclipse "Varian" spectrofluorimeter (Australia) with a xenon lamp 150 W. Electronic absorption spectra were recorded on a UV-2401 PC spectrophotometer «Shimadzu» (Japan). The electronic absorption spectra of TG and MT have absorption bands in the UV spectral region. It was established experimentally that the excitation spectra of TG and MT are similar to their absorption spectra (λex = 318 nm (TG) and λem = 274 nm (MT)). The effect on the luminescence intensity of TG and MT of methanol, ethanol, acetonitrile, dimethylformamide, dimethylsulfoxide, propanol (50 v/v) was studied. It is established that the maximum luminescence is observed in water. The methods were validated according to the following parameters: specificity, linearity, accuracy, limit of quantitation. The degree of extraction of trazodone hydrochloride and melatonin from applicators and surfaces of pharmaceutical equipment is more than 90%. The developed methods can be recommended for determining the residual amounts of trazodone hydrochloride and melatonin while monitoring the quality of the cleaning of pharmaceutical equipment.

Electronic absorption spectra and structure of hydroxycoumarin derivatives and their ionized forms

1997 ◽  
Vol 75 (4) ◽  
pp. 365-376 ◽  
Author(s):  
Valery F. Traven ◽  
Larisa I. Vorobjeva ◽  
Tatjana A. Chibisova ◽  
Edward Andrew Carberry ◽  
Noelle Jean Beyer
Keyword(s):  
Absorption Spectra ◽  
Electronic Absorption ◽  
Electronic Absorption Spectra ◽  
Bathochromic Shift ◽  
Hydroxyl Group ◽  
Absorption Bands ◽  
Pyrone Ring ◽  
Tautomeric Forms ◽  
Wavelength Absorption ◽  
Carbonyl Function

Electronic absorption spectra of 18 hydroxycoumarin derivatives and their ionized forms have been studied. Close agreement between experimental and the PPP CI calculated electron absorption band energies has been found in most cases. Strong polarization of the carbonyl function of the pyrone ring in the 7-hydroxycoumarin derivatives, H-bonding between the hydroxyl group and neighboring substituent in the ortho-substituted hydroxycoumarins, as well as their tautomeric transformations, have been suggested in the discussion of the electronic absorption spectra of the hydroxycoumarin derivatives. In accord also with calculational results, ionization of the hydroxyl function leads to a bathochromic shift of the longest-wavelength absorption bands in the spectra of 7-hydroxycoumarin derivatives. The ionization has no effect on the electronic absorption of the 4-hydroxycoumarin derivatives. Relative stabilities of the tautomeric forms of hydroxycoumarin derivatives and their ionized forms have also been compared by MNDO calculations. Keywords: hydroxycoumarins, intramolecular H-bonding, ionization, electronic absorption spectra, keto–enol tautomerism.

Dithiolate Mixed with Diimine and it's Metal Effects on Sensors

2014 ◽  
Vol 1021 ◽  
pp. 52-55
Author(s):  
Yong Hui Jia ◽  
Chao Xu
Keyword(s):  
Energy Level ◽  
Absorption Spectra ◽  
Electronic Absorption ◽  
Electronic Spectra ◽  
Electronic Absorption Spectra ◽  
Orbital Energy ◽  
Absorption Bands ◽  
The Relationship ◽  
Orbital Energy Level

Determination of the two Maleinitriledithiolate • phenanthroline-5 ,6-dione Lynn mixed copper (II), zinc (II) complexes MLL' (L=mnty, 1,2 twelve dicyanoethylene-1,2 - thiol ion L '= phen-5, 6-dione, l, 10 - phenanthroline-5 ,6-one o) amine in dimethy-l phthalate (DMF), acetone (Acet.) and chloroform (HCli) electronic absorption spectra corresponding to transitions studied the relationship between the absorption bands in the electronic spectra associated molecular orbital energy level diagram to explore their photographic oxidation characteristics in DMF.

scholarly journals The main optical characteristics of UV-spectra of 5-(adamantane-1-yl)-4R-1,2,4-triazole-3-thiones derivatives

2018 ◽  
pp. 57-62
Author(s):  
V. M. Odyntsova
Keyword(s):  
Matrix Element ◽  
Absorption Band ◽  
Oscillator Strength ◽  
Absorption Spectra ◽  
Electronic Absorption ◽  
Elemental Analysis ◽  
Electronic Absorption Spectra ◽  
Uv Spectra ◽  
Optical Characteristics ◽  
Absorption Bands

The development of pharmaceutical chemistry confronts molecular spectroscopy the problem of calculating the electronic states, assumptions and explanations of the various properties of complex organic compounds. In recent years, following the basic optical characteristics of the electronic absorption spectra: the wave number of maximum absorption – νmax (in cm-1), the half-width of the absorption bands of – ∆ν1/2 (cm-1), the integral intensity of the absorption band (in l/mol·cm2), the oscillator strength of the electronic transition – f, the matrix element of the transition of electrons – Mik. began widely used. These constants allow you to determine the chromophores in the investigated substances, to establish the probability and the resolution of the electrons’ transition. Our goal was the calculation and study of the basic optical characteristics of the electronic absorption spectra of 5-(adamantane-1-yl)-4R-1,2,4-triazole-3-thione, namely 5-(adamantane-1-yl)-4-methyl-1,2,4-triazole-3-thione and 5-(adamantane-1-yl)-4-phenyl-1,2,4-triazole-3-thione derivatives. When deciding about the purity of the compounds we used melting point, thin layer chromatography and the results of elemental analysis. UV spectra of the investigated compounds was measured with a spectrophotometer Specord 200-222U214 (Germany). Elemental analyzer GmbH (Germany) was used for carrying out the elemental analysis. It is determined that the values of the half-width Δν½ and integrated intensity of the absorption bands (A), the oscillator strength (f) and matrix element of the transition (Mik) can be used as an important constants of 5-(adamantane-1-yl)-4R-1,2,4-triazole-3-thione derivatives for their identification and establishing a deep connection between spectra and structure of the molecule. For the studied compounds is the most characteristic absorption band in the medium wave spectrum with high values of A and f, which indicate about the permitted and probable transitions of electrons which give rise to the observed maxima. Based on the study of the basic optical characteristics of the electronic absorption spectra of 5-(adamantane-1-yl)-4R-1,2,4-triazole-3-thione derivatives is found that chromatofor in the studied molecules is the structure of 1,2,4-triazole and substituents (adamantane, methyl and phenyl radicals). A distinctive feature, namely 5-(adamantane-1-yl)-4-phenyl-1,2,4-triazole-3-thione 5-(adamantane-1-yl)-4-methyl-1,2,4-triazole-3-tion are the values A, f, Mik, which can be used to identify the investigated compounds.

Stereochemistry of [carbonato-bis((S)-prolinato)]cobaltate(III) anion

1984 ◽  
Vol 49 (3) ◽  
pp. 680-683 ◽  
Author(s):  
Bohumil Hájek ◽  
Dagmar Sýkorová ◽  
Jiří Chyba
Keyword(s):  
Absorption Spectra ◽  
Electronic Absorption ◽  
Electronic Absorption Spectra ◽  
Cd Spectra

The λ-C1-cis(N), δ-C1-cis(N), λ-C2-cis(N) and δ-C2-cis(N) isomers of the complex K[Co((S)-Pro)2CO3] were chromatographically separated and characterized by their electronic absorption spectra and CD spectra.

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