- 标题
- 摘要
- 关键词
- 实验方案
- 产品
-
Tracking small heterogeneity in binary mixtures of aliphatic and aromatic hydrocarbons: NIR spectroscopic, 2DCOS and MCR-ALS studies
摘要： To our best knowledge, this is the ?rst spectroscopic study of small heterogeneity at a molecular level in binary mixtures of aliphatic and aromatic hydrocarbons. The composition-dependent spectra of benzene/toluene, benzene/n hexane, benzene/cyclohexane, n hexane/n heptane and n hexane/cyclohexane mixtures were recorded by NIR transmission technique in the whole range of mole fractions. A comprehensive exploration of the experimental data was performed by two-dimensional correlation analysis (2DCOS) and chemometric methods. In addition, we calculated excess NIR molar absorption spectra and parameter of ER, which allows for comparison of the degree of deviation from ideality for various mixtures. Our results reveal that all studied mixtures deviate from the ideal mixture. The extent of these deviations is small for the mixtures were both components are aromatic or aliphatic and increases for aromatic/aliphatic mixtures. In addition, molecular shapes have an important effect on the degree of deviation from the ideal mixture. As expected, benzene/n hexane is the most non-ideal mixture, while behavior of n hexane/n heptane and benzene/toluene mixtures is close to the ideal one. Our results suggest that in the mixtures with the largest deviations from ideality are present homoclusters of both components and heteroclusters. The heteroclusters exist in the whole range of compositions, while the homoclusters appears above a certain concentration limit. If both components of the mixture are similar, the molecules with equal probability form the homo- and heteroclusters. In the case of unlike components, the molecules prefer to form the homoclusters. The homoclusters of both components in the mixture are similar as those observed in bulk constituents. This means that deviation from the ideal mixture results from presence of the heteroclusters.
关键词： Aliphatic/aromatic hydrocarbons,NIR,Clustering,MCR-ALS,Binary mixtures,2DCOS,Chemometrics,Excess absorption spectra,Microheterogeneity
更新于2025-09-19 17:15:36
-
Cd(II)‐Organic FrameworksFabricated by aN‐Rich Ligand and FlexibleDicarboxylates: Structural Diversity and Multi‐Responsive Luminescent Sensing for Toxic Anions and Ethylenediamine
摘要： Three metal-organic frameworks {[Cd(L)(glu)]·3H2O}∞ (1), {[Cd2(L)2(adi)2]·5H2O}∞ (2) and {[Cd(L)(sub)]·3H2O·DMA }∞ (3) (L = pyridine-3,5-bis(5-azabenzimidazole), H2glu = glutaric acid, H2adi = adipic acid and H2sub = suberic acid) were obtained under solvothermal conditions. Complex 1 shows a 2D (4,4) network constructing of Cd2-glu and Cd-L chains. Complex 2 presents a 2-fold interpenetrating 3D framework with pcu topology. Complex 3 is a 3D framework with cds topology. Three complexes with versatile structures were obtained by changing aliphatic dicarboxylate ligands with different length based on a N-rich ligand. Moreover, the fluorescence measurements indicate that complex 1 is a good multifunctional chemosensor for the detection of Cr2O7 2- and MnO4 - anions by fluorescence quenching effect, and ethylenediamine by fluorescence enhancement effect, with the detection limits of 1.196 ppm, 0.551 ppm and 64.572 ppm, respectively. Both complexes 2 and 3 can selectively sensing Cr2O7 2- anion with the detection limits of 1.126 ppm for 2 and 0.831 ppm for 3 by fluorescence quenching effect.
关键词： N-rich ligand,structural diversity,Cd(II)-organic framework,multi-responsive sensor,Aliphatic dicarboxylate
更新于2025-09-12 10:27:22
-
Multi C–C/ C–N Coupled Light‐Emitting Aliphatic Terpolymers: N–H Functionalized Fluorophore‐Monomers and High‐Performance Applications
摘要： For circumventing the costly fluorescent labelling, nonconventional multifunctional intrinsically fluorescent aliphatic-terpolymers, i.e., 1, 2, 3, 4, and 5, were synthesized via C–C/ C–N coupled in situ protrusions of fluorophore-monomers in solution polymerization of two non-emissive monomers. These scalable terpolymers were suitable for sensing and high-performance exclusion of Cu(II), logic-function, and bioimaging. The structures of terpolymers, fluorescent monomers, aggregation-induced enhanced emissions, bioimaging abilities, and the superadsorption were understood using 1H/ 13C NMR, Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy, ultraviolet-visible spectroscopy, atomic absorption spectroscopy, thermogravimetric analysis, high-resolution transmission electron microscopy, dynamic light scattering, electron paramagnetic resonance spectroscopy, solid-state fluorescence, fluorescence imaging, and fluorescence lifetime, along with isotherms, kinetics, and thermodynamic studies. The geometries and electronic structures of fluorophores and absorption-emission properties of terpolymers were examined using density functional theory, time-dependent DFT, and natural transition orbital analyses. For 1, 2, and 5, the limit of detection values were 1.03 × 10?7, 1.65 × 10?7, and 1.77 × 10?7 M, respectively. The maximum adsorption capacities were 1575.21, 1433.70, and 1472.21 mg g?1 for 1, 2, and 5, respectively.
关键词： aliphatic,aggregation-induced enhanced emissions,light-emitting,logic-gates,superadsorption,Nonconventional,bioimaging,Cu(II)-sensors,DFT-TDDFT-NTO,terpolymers
更新于2025-09-11 14:15:04