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Tytuł:
Experimental and Theoretical Investigation to Study the Molecular Structure, Electronic Properties, UV–Vis Spectra of Coumarin 102
Autorzy:
Mohi, Ali T.
Abood, Tareq H.
Hadi, Hasan A.
Karim, Mahmood S.
Mutlik, Falah A-H.
Alwan, Tariq J.
Powiązania:
https://bibliotekanauki.pl/articles/1178533.pdf
Data publikacji:
2017
Wydawca:
Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:
DFT
Ionization potential
TDDFT
electron affinity
energy gap and UV spectra
Opis:
In this work, we study the structure, electronic properties and electronic spectra of Coumarin 102 (C102) dissolved in ethanol as an experimental-theoretical investigation. The various properties of the ground and excited electronic states of coumarins 102 using density functional theory (DFT) and time-dependent density functional theory (TDDFT) was calculated by the B3LYP density functional model with 6-31G(d,p) basis set by Gaussian 09 W program. Spectral characteristics of coumarin 102 have been probed into by methods of experimental UV-visible, and quantum chemistry. The UV spectrum was measured in Ethanol. The optimized structures, total energies, electronic states (HOMO- LUMO), energy gap, ionization potentials, electron affinities, chemical potential, global hardness, softness, global electrophilictity, dipole moment and electrostatic potential was calculated. were calculated. We find good agreement between experimental data of UV spectrum and TDDFT excitation energies.
Źródło:
World Scientific News; 2017, 70, 2; 216-229
2392-2192
Pojawia się w:
World Scientific News
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Spectral correlations and antimicrobial activities of some 1-pyrenyl chalcones
Autorzy:
Arulkumaran, R.
Vijayakumar, S.
Sundararajan, R.
Sakthinathan, S.P.
Kamalakkannan, D.
Suresh, R.
Ranganathan, K.
Rajakumar, P.R.
Powiązania:
https://bibliotekanauki.pl/articles/411776.pdf
Data publikacji:
2013
Wydawca:
Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:
substituted styryl 1-pyrenyl ketones
UV spectra
IR spectra
NMR spectra
substituent effects
antimicrobial activities
Opis:
A series of 1-pyrenyl chalcones have been synthesized by Crossed-Aldol condensation of 1-acetylpyrene and substituted benzaldehydes. The purities of these chalcones have been checked by their physical constants, UV, IR, NMR and MASS spectral data. The spectral data of these chalcones have been correlated with Hammett sigma constants, F and R parameters using single and multi-linear regression analysis. From the results of statistical analysis, the effect of substituents on the spectral group frequencies have been discussed. The anti-microbial activities of these chalcones have been evaluated using Bauer-Kirby method.
Źródło:
International Letters of Chemistry, Physics and Astronomy; 2013, 5; 21-38
2299-3843
Pojawia się w:
International Letters of Chemistry, Physics and Astronomy
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Spectral correlation analysis and antimicrobial activities of some 2,4-dimethoxy phenyl chalcones
Autorzy:
Joseph, S. J.
Arulkumaran, R.
Kamalakkannan, D.
Sakthinathan, S. P.
Sundararajan, R.
Suresh, R.
Vijayakumar, S.
Ranganathan, K.
Kalyanasundaram, N.
Vanangamudi, G.
Thirunarayanan, G.
Powiązania:
https://bibliotekanauki.pl/articles/412661.pdf
Data publikacji:
2014
Wydawca:
Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:
substituted styryl 2
4-dimethoxy phenyl ketones
UV spectra
IR spectra
NMR spectra
substituent effects
antimicrobial activities
Opis:
A series of 2,4-dimethoxy phenyl chalcones have been synthesized by Crossed-Aldol condensation of 2,4-dimethoxy phenyl and various substituted benzaldehydes. The purities of these chalcones have been checked by their physical constants, UV, IR, NMR and MASS spectral data. The spectral data of these chalcones have been correlated with Hammett sigma constants, F and R parameters using single and multi-linear regression analysis. From the results of statistical analysis, the effects of substituents on the spectral group frequencies have been discussed. The anti-microbial activities of these chalcones have been evaluated using Bauer-Kirby method.
Źródło:
International Letters of Chemistry, Physics and Astronomy; 2014, 4; 48-65
2299-3843
Pojawia się w:
International Letters of Chemistry, Physics and Astronomy
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Assessment of substituent effects and antimicrobial activities of some 2ʹ,5ʹ-dimethyl phenyl chalcones
Autorzy:
Joseph, S. J.
Kamalakkannan, D.
Arulkumaran, R.
Sakthinathan, S. P.
Suresh, R.
Sundararajan, R.
Vijayakumar, S.
Ranganathan, K.
Vanangamudi, G.
Thirunarayanan, G.
Powiązania:
https://bibliotekanauki.pl/articles/412597.pdf
Data publikacji:
2014
Wydawca:
Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:
substituted styryl 2
5ʹ-dimethyl phenyl chalcones
UV spectra
IR spectra
NMR spectra
substituent effects
antimicrobial activities
Opis:
Some 2ʹ,5ʹ-dimethyl phenyl chalcones have been synthesized by Crossed-Aldol condensation between 2,5-dimethyl acetophenone and various substituted benzaldehydes using catalytic amount of sodium hydroxide and ethanol. The yields of the chalcones are more than 93 %. The purities of these chalcones have been checked by their physical constants, UV, IR, NMR and MASS spectral data. The spectral data of these chalcones have been correlated with Hammett sigma constants, F and R parameters using single and multi-linear regression analysis. From the results of statistical analysis, the effects of substituents on the spectral group frequencies have been discussed. The anti-microbial activities of these chalcones have been evaluated using Bauer-Kirby method.
Źródło:
International Letters of Chemistry, Physics and Astronomy; 2014, 5; 99-123
2299-3843
Pojawia się w:
International Letters of Chemistry, Physics and Astronomy
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Spectral correlation analysis of Hammett substituent constants and biological activities of some (E)-1-(4-phenoxyphenyl)-3-phenylprop-2-en-1-ones
Autorzy:
Kalyanasundaram, N.
Sakthinathan, S. P.
Suresh, R.
Kamalakkannan, D.
Joseph, S. J.
Vanangamudi, G.
Thirunarayanan, G.
Powiązania:
https://bibliotekanauki.pl/articles/412539.pdf
Data publikacji:
2014
Wydawca:
Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:
substituted styryl 4-phenoxyphenylketones
UV-spectra
IR spectra
NMR spectra
Hammett constants
substituent effects
regression analysis and antimicrobial activities
Opis:
A series of aryl chalcones have been synthesized from 4-phenoxyacetophonone with various substituted benzaldehydes. The purity of all chalcones has been checked using their physical constants and spectral data. These spectral data have been correlated with Hammett substituent constants and F and R parameters using single and multi-linear regression analysis. From the results of statistical analysis, the effect of substituents on the above spectral data has been studied. The single parameter correlation with few Hammett constants and F and R parameters gave satisfactory correlation coefficients whereas all multiple correlations gave satisfactory correlation coefficients with Resonance, Field and Swain-Lupton’s parameters. The antimicrobial activities of all chalcones have been studied using Bauer-Kirby method.
Źródło:
International Letters of Chemistry, Physics and Astronomy; 2014, 9; 23-47
2299-3843
Pojawia się w:
International Letters of Chemistry, Physics and Astronomy
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Synthesis, effect of substituents and antimicrobial activities of some 4-bromophenyl chalcones
Autorzy:
Vijayakumar, S.
Vanangamudi, G.
Thirunarayanan, G.
Powiązania:
https://bibliotekanauki.pl/articles/1191238.pdf
Data publikacji:
2016
Wydawca:
Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:
(E)-1-(4-bromophenyl)-3-(substituted phenyl)-2-propen-1-ones
UV spectra
IR spectra
NMR spectra
Substituent effects
Antimicrobial activities
Opis:
Elven (E)-1-(4-bromophenyl)-3-(substituted phenyl)-2-propen-1-ones are formed using sodium hydroxide catalyzed Aldol condensation between 4-bromoacetophenone and substituted benzaldehyde. The production of these chalcone compounds are above 90%. These α, β unsaturated ketones were specified by their physical constants and spectral data (UV, IR, 1H and 13C-NMR). Hammett substituted constants (σ, σ+, σI & σR and F and R parameters have been used for correlating the spectral values of these α, β unsaturated ketones by using single and multi-linear regression analysis. The impacts of substituents on the spectral data have been known on statistical analysis. By using Bauer-Kirby method the anti-microbial activities of these (E)-1-(4-bromophenyl)-3-(substituted phenyl)-2-propen-1-ones compounds are estimated.
Źródło:
World Scientific News; 2016, 54; 132-152
2392-2192
Pojawia się w:
World Scientific News
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Synthesis and characterization of copper(II) complex of 3-methyl-2,6-diphenylpiperidin-4-one oxime
Autorzy:
Thirunarayanan, G.
Lakshmanan, K.
Powiązania:
https://bibliotekanauki.pl/articles/1076144.pdf
Data publikacji:
2019
Wydawca:
Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:
Complexation
Copper chloride
Piperidine-4-one
Piperidine-4-oneoxime
UV and IR spectra
Opis:
A novel six membered heterocyclic oxime namely 3-methyl-2,6-diphenylpiperidin-4-oneoxime was prepared from the condensation of 3-methyl-2,6-diphenylpiperidin-4-one and hydroxylamine hydrochloride. The obtained oxime was characterized by their physical, analytical and spectroscopic data. This oxime was utilized as ligand for preparation of the copper complex. The oxime belongs to bidentate ligand nature. The copper complex of this oxime was prepared by the conventional heating of ethanolic solution of this oxime and copper chloride pentahydrate. The obtained copper complex was analyzed by their physical constants, analytical, pH measurements, UV and IR spectral data. These physicochemical analysis results confirmed, the structure of the complex was octahedral.
Źródło:
World Scientific News; 2019, 116; 102-114
2392-2192
Pojawia się w:
World Scientific News
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Infrared studies and spectral properties of photochromic high silica glasses
Autorzy:
Girsova, M A
Golovina, G F
Drozdova, I.A.
Polyakova, I G
Antropova, T V
Powiązania:
https://bibliotekanauki.pl/articles/174765.pdf
Data publikacji:
2014
Wydawca:
Politechnika Wrocławska. Oficyna Wydawnicza Politechniki Wrocławskiej
Tematy:
silica porous glass
photochromic high silica glass
transmission electron microscopy TEM
X-ray diffraction (XRD)
UV–VIS–IR transmission spectra
Opis:
The structure of photochromic high silica glasses (PHSGs) was studied by UV–VIS–NIR and IR spectroscopy, transmission electron microscopy (TEM) and X-ray diffraction (XRD) techniques. PHSG plates were obtained by impregnation of silica porous glasses at first with AgNO3 aqueous solution (in or without the presence of the sensitizers, such as Cu(NO3)2 or Ce(NO3)3), next in the mixed halide salt (NH4Cl, KBr, KI) solution. Then a part of the samples was sintered at temperatures from 850 to 900 °C up to closing of the pores. The results of TEM study have shown that the PHSG plates have two-phase structure with inclusions of the size of 10–100 nm. According to XRD data, the PHSGs contain the AgBr phase. IR spectra confirmed the presence of AgI, AgCl, CeO2, CuCl2, CuCl phases in PHSGs.
Źródło:
Optica Applicata; 2014, 44, 2; 337-344
0078-5466
1899-7015
Pojawia się w:
Optica Applicata
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Study of Ionic Liquids UV-VIS and FTIR Spectra before and after Heating and Spruce Groundwood Dissolution
Badanie widm UV-VIS i FT-IR cieczy jonowych przed i po ogrzewaniu oraz wprowadzeniu ścieru świerkowego
Autorzy:
Danielewicz, Dariusz
Kmiotek, Magdalena
Surma-Ślusarska, Barbara
Powiązania:
https://bibliotekanauki.pl/articles/232746.pdf
Data publikacji:
2019
Wydawca:
Sieć Badawcza Łukasiewicz - Instytut Biopolimerów i Włókien Chemicznych
Tematy:
ionic liquids
UV spectrum
IR spectrum
heating
groundwood
dissolution
ciecz jonowa
widmo UV
widmo IR
ogrzewanie
rozpuszczanie
Opis:
The absorption of 1-butyl-3-methylimidazolium chloride and acetate taken from commercial packaging was studied by means of UV-VIS and infrared spectroscopy with some differences observed. Further research showed that heating both 1-butyl-3-methylimidazolium chloride and acetate alone, as well as in the presence of wood pulp, causes the darkening of these ionic liquids. Changes in the colour of ionic liquids associated with a variation in the absorption characteristics of pure ionic liquids and wood solutions in these liquids in UV and visible light are expressed primarily in the widening of the absorption bands. The presence of coloured products formed during their heating, as well as dissolution of the chemical components of wood in ionic liquids, had relatively little effect on the position of individual absorption bands in the spectrum obtained by the FT-IR method. The small differences in the absorption of spruce groundwood solutions in ionic liquids in IR as compared to pure ionic liquids suggest that strong chromophore groups in ionic liquids are created without serious reconstruction of their structure.
W pracy zbadano absorpcję chlorku i octanu 1-butylo-3-metyloimidazoliowego za pomocą spektroskopii UV-VIS i spektroskopii w podczerwieni (FT-IR), zaobserwowano pewne różnice. Dalsze badania wykazały, że zarówno ogrzewanie samego chlorku lub octanu 1-butylo-3-metyloimidazoliowego, jak i ogrzewanie cieczy jonowych, w których rozpuszczono ścier drewna świerkowego, powoduje ciemnienie tych cieczy jonowych. Zmiany barwy cieczy jonowych, związane ze zmianą charakterystyki absorpcji czystych cieczy jonowych i roztworów drewna w tych cieczach w świetle UV i widzialnym wyrażają się przede wszystkim w poszerzaniu pasm absorpcji. Obecność barwionych produktów ogrzewania badanych cieczy jonowych, jak również rozpuszczanie w nich chemicznych składników drewna, wywiera stosunkowo niski wpływ na położenie poszczególnych pasm absorpcji w widmie uzyskanym metodą FT-IR. Niewielkie różnice w widmach FT-IR cieczy jonowych, zawierających rozpuszczony ścier świerkowy w porównaniu z czystymi cieczami jonowymi, mogą wynikać z małego stężenia ścieru w tych cieczach jonowych.
Źródło:
Fibres & Textiles in Eastern Europe; 2019, 1 (133); 118-123
1230-3666
2300-7354
Pojawia się w:
Fibres & Textiles in Eastern Europe
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Synthesis, spectral correlation analysis and evaluation of biological activities of some substituted hydrazones
Autorzy:
Vijayakumar, Renganathan
Senbagam, Rajamohan
Rajarajan, Murugan
Balaji, Selvaraj
Manikandan, Venkatesan
Vanangamudi, Ganesan
Thirunarayanan, Ganesamoorthy
Powiązania:
https://bibliotekanauki.pl/articles/764124.pdf
Data publikacji:
2015
Wydawca:
Uniwersytet Marii Curie-Skłodowskiej. Wydawnictwo Uniwersytetu Marii Curie-Skłodowskiej
Tematy:
Hydrazones
UV
IR & NMR spectra
Correlation analysis
Antimicrobial activities
Opis:
Some novel substituted hydrazone derivatives of amino guanidine have been synthesized with different substituted benzaldehydes by condensation method. The synthesized hydrazones were characterized by their physical constants, UV, IR and NMR spectra. The spectral data have been correlated with Hammett substituent constants and Swain–Lupton parameters. From the result of statistical analysis, the effects of substituents on the spectral data have been predicted. The antimicrobial activities of these synthesized hydrazone compounds have been screened by Bauer-Kirby method using human pathogenic bacteria and fungal species. The antimicrobial activities of all synthesized hydrazone compounds have shown significant activity.
Źródło:
Annales Universitatis Mariae Curie-Skłodowska, sectio AA – Chemia; 2015, 70, 2
2083-358X
Pojawia się w:
Annales Universitatis Mariae Curie-Skłodowska, sectio AA – Chemia
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Synthesis, spectral studies and antimicrobial activities of some substituted (E)-1-benzylidene-2-(4-bromophenyl)hydrazines
Autorzy:
Rajarajan, M.
Senbagam, R.
Vijayakumar, R.
Manikandan, V.
Balaji, S.
Vanangamudi, G.
Thirunarayanan, G.
Powiązania:
https://bibliotekanauki.pl/articles/1194024.pdf
Data publikacji:
2015
Wydawca:
Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:
Antimicrobial study
Hammett equation
Hydrazone
IR spectra
NMR spectra
Synthesis
UV
Opis:
A series of nine number of (E)-1-benzylidene-2-(4-bromophenyl)hydrazine compounds have been synthesized by the condensation reaction of 4-bromo phenylhydrazine with varies m- and p- substituted benzaldehydes using acetic acid catalyst were refluxed for 4h with 20 mL of absolute ethanol. The yield of synthesized (E)-1-benzylidene-2-(4-bromophenyl)hydrazine compounds are more than 80%. The synthesized (E)-1-benzylidene-2-(4-bromophenyl)hydrazines have been characterized by UV, IR, 1H and 13C spectral data. These UV, IR and NMR spectral data have been correlated with varies Hammett substituted constant and Swain-Lupton F and R parameters using single and multi- regression analysis. From the results of statistical analysis, the effects of substituent have been studied. The antimicrobial activity of all the synthesized substituted (E)-1-benzylidene-2-(4-bromophenyl)hydrazines have been evaluated using Bayer-Kirby method.
Źródło:
World Scientific News; 2015, 9; 144-160
2392-2192
Pojawia się w:
World Scientific News
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Synthesis, assessment of substituent effect and antimicrobial activities of some substituted (E)-Nbenzylidene- 5-bromopyridin-2-amines
Autorzy:
Senbagam, Rajamohan
Vanangamudi, Ganesan
Thirunarayanan, Ganesamoorthy
Powiązania:
https://bibliotekanauki.pl/articles/763969.pdf
Data publikacji:
2015
Wydawca:
Uniwersytet Marii Curie-Skłodowskiej. Wydawnictwo Uniwersytetu Marii Curie-Skłodowskiej
Tematy:
E-imines
UV
IR and NMR spectra
Spectral QSAR study
Antimicrobial activities
Opis:
A series of substituted (E)-N-benzylidene-5-bromopyridin-2-amine compounds have been synthesized from 5-bromo-2-aminopyridine with different substituted benzaldehydes. The structure of the adducts was confirmed by their physical constants, UV, IR and NMR spectral data. The observed UV absorption maximum λmaxC=N(nm), IR frequencies νC=N(cm-1), The 1H and 13C NMR δ(ppm) chemical shifts values have been correlated with Hammett substituent constants and F and R parameters using single and multi-linear regression analysis. From the results of statistical analysis, the effect of substituents on the spectral data has been studied. The antimicrobial activities of all synthesized imines have been studied using Bauer-Kirby method.
Źródło:
Annales Universitatis Mariae Curie-Skłodowska, sectio AA – Chemia; 2015, 70, 2
2083-358X
Pojawia się w:
Annales Universitatis Mariae Curie-Skłodowska, sectio AA – Chemia
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Synthesis and spectral correlation studies of some (E)-N′-1-(substituted benzylidene) benzohydrazides
Autorzy:
Manikandan, V.
Balaji, S.
Senbagam, R.
Vijayakumar, R.
Rajarajan, M.
Vanangamudi, G.
Arulkumaran, R.
Sundararajan, R.
Thirunarayanan, G.
Powiązania:
https://bibliotekanauki.pl/articles/1162032.pdf
Data publikacji:
2018
Wydawca:
Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:
(E)-N’-1-(substituted benzylidene) benzohydrazides
IR and NMR spectra and Correlations
UV
Opis:
About ten substituted (E)-N’-1-(substituted benzylidene) benzohydrazides have been synthesized. They are characterized by their analytical, ultraviolet, infrared and NMR spectral data. The effects of substituent on these data have been studied using Hammett equation.
Źródło:
World Scientific News; 2018, 111; 26-39
2392-2192
Pojawia się w:
World Scientific News
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Synthesis and Hammett spectral QSAR analysis of some (E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-ones
Autorzy:
Vijayakumar, S.
Manikandan, V.
Arulkumaran, R.
Christuraj, P.
Sundararajan, R.
Thirunarayanan, G.
Powiązania:
https://bibliotekanauki.pl/articles/1076503.pdf
Data publikacji:
2019
Wydawca:
Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:
(E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-ones
IR
NMR spectra
QSAR study
UV
regression analysis
Opis:
About nine substituted (E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-ones have been synthesized by solvent-free method. These enones were analyzed by spectral techniques. The characteristic spectral frequencies were correlated through Hammett equation with Hammett substituent constants, F and R parameters using single and multi-regression analysis method. From the statistical analysis results, the quantitative structure activity relationships have been discussed by means of effects of substituents on the spectral frequencies.
Źródło:
World Scientific News; 2019, 115; 52-67
2392-2192
Pojawia się w:
World Scientific News
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Synthesis, Assessment of substituent effect and Antimicrobial activities of some substituted (E)-N-benzylidene-4H-1,2,4-triazol-4-amines
Autorzy:
Senbagam, R.
Rajarajan, M.
Vijayakumar, R.
Manikandan, V.
Balaji, S.
Vanangamudi, G.
Thirunarayanan, G.
Powiązania:
https://bibliotekanauki.pl/articles/1194005.pdf
Data publikacji:
2015
Wydawca:
Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:
IR and NMR spectra
QSAR study
UV
antimicrobial study
heterocyclic Schiff bases
synthesis
Opis:
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Źródło:
World Scientific News; 2015, 8; 176-191
2392-2192
Pojawia się w:
World Scientific News
Dostawca treści:
Biblioteka Nauki
Artykuł
Wyświetlanie 1-15 z 20

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