Solvatochromic
Mostrando 1-12 de 19 artigos, teses e dissertações.
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1. UNRAVELING THE SOLVATOCHROMISM OF A TRIARYLMETHANE DYE BY RESONANCE RAMAN SPECTROSCOPY
The effect of the solvent on the electronic properties of the triarylmethane dye rosolic acid (RA) is investigated by means of UV-VIS and resonance Raman (RR) spectroscopies. The comparison of the solvatochromic behavior of both neutral and dianionic species of RA in acetonitrile, dimethylsulfoxide, and methanol illustrates the effect of polarity and hydroge
Quím. Nova. Publicado em: 05/12/2019
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2. Liquid-liquid extraction equilibrium for pyruvic acid recovery: experimental data and modeling
ABSTRACT Physical extraction studies of pyruvic acid from dilute aqueous solutions (0.025 kmol·m-3 to 0.200 kmol·m-3) using several pure solvents (tri-n-butylphosphate (TBP), 1-decanol, 1-octanol, toluene, Methyl-isobutylketone (MIBK), and n-heptane) and their binary mixtures are reported in this work. All the batch extraction experiments were carried out
Braz. J. Chem. Eng.. Publicado em: 2017-07
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3. Supramolecular Approach to Decorate Multi-Walled Carbon Nanotubes with Negatively Charged Iron(II) Complexes
Poly(4-vinylpyridine) (P4VP) and P4VP/pentacyanoferrate(II) metallopolymer were used to suspend up to 1 mg mL-1 of multi-walled carbon nanotubes (MWCNT) in ethanol/water mixtures, providing noncolavent decoration of MWCNT with electroactive iron complex. The major interaction between polymer side chains and nanotubes is via π-π stacking, rather than charge
J. Braz. Chem. Soc.. Publicado em: 2017-01
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4. Convenient solvatochromic probes for the determination of solvent properties: β-carotene and 2-chloro-7-nitro-9H-fluorene
Dipolaridade/polarizabilidade do solvente (SDP) tem sido calculada a partir dos espectros de UV-Vis de 2-(N,N-dimetilamino)-7-nitro-9H-fluoreno e 2-fluoro-7-nitro-9H-fluoreno. Com base em cálculos teóricos (23 solventes) e dados experimentais (56 solventes), revela-se que 2-cloro-7-nitro-9H-fluoreno (disponível comercialmente) pode ser perfeitamente utili
J. Braz. Chem. Soc.. Publicado em: 2013-07
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5. Absorption spectrum of the ortho-betaine in Water: a Study Theoretical Method using Sequential Monte Carlo/Mechanics Quantum / Espectro de Absorção da Orto-betaína em Água: um Estudo Teórico usando o Método Seqüencial Monte Carlo/Mecânica Quântica
Using sequential Monte Carlo simulation and quantum mechanics calculations(S-QM/MM) based on the TD-DFT methods we have been used to study the solvatochromic shift of the orto-betaine in water. Statistically uncorrelated configurations have been obtained from MC simulations with unpolarized and in-solution polarized solute. To account for the solute electron
Publicado em: 2009
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6. Espectro de Absorção da Orto-betaína em Água: um Estudo Teórico usando o Método Seqüencial Monte Carlo/Mecânica Quântica / Absorption spectrum of the ortho-betaine in Water: a Study Theoretical Method using Sequential Monte Carlo/Mechanics Quantum
Using sequential Monte Carlo simulation and quantum mechanics calculations(S-QM/MM) based on the TD-DFT methods we have been used to study the solvatochromic shift of the orto-betaine in water. Statistically uncorrelated configurations have been obtained from MC simulations with unpolarized and in-solution polarized solute. To account for the solute electron
Publicado em: 2009
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7. Caracterização espectroscópica e por modelagem mecânico-quântica, de compostos com potencial aplicação em dispositivos ópticos não-lineares
In the present work, the compounds 1-(3,4,5-trimethoxiphenil)-2-(2- tienyl) -5-(4-nitrophenylazo) pirrol (compound 1) and 5-dicianovinyl-5- piperidine-5,2:5:2- tertiophene (compound 2), were characterized using a combination of spectroscopic measurements and quantum mechanical calculation, aiming to evaluate if they present the necessary requisites for appli
Publicado em: 2009
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8. Extracion of citric acid in 2-octanol and 2-propanol solutions containing tomac: an equilibria and a LSER model
Studies on the extraction of citric acid by TOMAC (trioctyl methyl ammonium chloride) dissolved in 2-propanol and 2-octanol (active solvents) and their mixture (1 : 1 volume ratio) are reported. Experimental results of batch extraction experiments are calculated and reported for partitioning coefficients (D), loading factors (Z), and extraction efficiency (E
Brazilian Journal of Chemical Engineering. Publicado em: 2008-09
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9. Pure solvents and their mixtures solvation: relevance to chemistry and creen chemistry / Solvatação por solventes puros e suas misturas: relevância para química e química verde
In the present work, solvatochromic probes were employed in the study of pure solvents, binary mixtures of water with protic and aprotic solvents, ionic liquids and their aqueous binary mixtures The probes studied are classified in two series: (i) RPMBr2; where R = methyl to 1-octyl allowed increasing the hydrophobicity while maintaining the pKa constant. (i
Publicado em: 2008
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10. Vibrational and electronic spectroscopy of diaminoanthraquinones as microenvironment probes / Espectroscopia vibracional e eletrônica de Diaminoantraquinonas como sondas de microambientes
In the present work, the ionochromic and solvatochromic behavior of several diaminoantraquinones were investigated by means of optical and vibrational spectroscopies, alongside computational simulation. The UV-Vis spectra of 1,2- diaminoantraquinone (1,2-DAAQ) were analyzed using empirical solvatochromic scales, like the Kamlet-Taft. Such analysis enabled an
Publicado em: 2007
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11. Detecção de analitos neutros e aniônicos através do uso de sensores cromogênicos baseados na competição de uma merocianina solvatocrômica e do substrato por uma unidade receptora
Este trabalho apresenta o desenvolvimento de sensores cromogênicos para espécies neutras e aniônicas, através da interação uma merocianina solvatocrômica (merocianina de Brooker, MB) com diferentes receptores (α-, β-, γ-, hidroxipropil-β, metil-β-ciclodextrina e ácido fenil borônico). A interação não covalente de ciclodex
Publicado em: 2007
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12. Estudo de um sensor cromogênico aniônico fundamentado na competição entre uma merocianina e um ânion pelo calix[4]pirrol
This work has studied the assembly of a chromogenic sensor that uses as receptor calyx[4]pyrrole (CP), which is capable to recognize fluoride with high efficience, and two solvatochromic dyes, Brookers merocyanine (MB) and Reichardts dye (CR), as signalizing unity. The solutions of MB in acetonitrile, a low polarity medium, exhibit violet color. It was obser
Publicado em: 2007