Dielectric spectroscopy and hydrogen bonding studies of 1-chloropropane–ethanol mixture using TDR technique

Shinde, R. V.; Deshmukh, Avadhut Ramrao; Ingole, Shital A.; Kumbharkhane, A.C.

doi:10.1142/s2010135x19500188

Cited by 5 publications

(3 citation statements)

References 18 publications

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“…The relations of the -OH group of phenols through the C=O of amides is known as dipole-dipole interactions. Only a small number of phenols molecules are required to allow dipole-dipole interactions by hydrogen bonding with independents of amides molecules at low concentrations of phenols in mixtures (Sivagurunathan et al 2005;Shinde et al 2019).…”

Section: Relaxation Time (Ps)mentioning

confidence: 99%

Dielectric Relaxation Studies of Hydrogen Bonded Complexes of Benzamide and Acetamide with Halogenated Phenols Using X-band Microwave Frequency

Basha

Khan

2021

AJSTD

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At 308 K, using a 9.37 GHz dielectric relaxation setup, dielectric studies of hydrogen bonded complexes of benzamide and acetamide with 4-fluorophenol, 4-bromophenol, 4-chlorophenol, and 4-iodophenol in benzene were performed. Various dielectric parameters (such as ??, ??, ?0, and ??) were tested. The steric interactions of the proton donor determined the group rotation relaxation time t(2), whereas the significance of Higasi’s single frequency method for multiple relaxation time t(1) was determined by the hydrogen bonding power of the phenolic hydrogen. The presence of a 1:1 complex system between the prepared samples, as well as a charge transfer between the free hydroxyl group of phenols and the carbonyl group of amides was confirmed by the fact that the relaxation time and molar free energy activation of the 1:1 molar ratio were greater than some other higher molar ratios (i.e. 3:1, 2:1, 1:2, 1:3).

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Section: Relaxation Time (Ps)mentioning

confidence: 99%

Dielectric Relaxation Studies of Hydrogen Bonded Complexes of Benzamide and Acetamide with Halogenated Phenols Using X-band Microwave Frequency

Basha

Khan

2021

AJSTD

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“…Solvent effects on the binding energy of the linker to the SURMOF substrate in the ab initio calculations were investigated using an implicit solvent model (VASPsol). The ethanol (epsilon of 24.3 [ 38 ] ) solvent environment corresponding to the experiment SURMOF synthesis conditions was utilized, see Figure S10 (Supporting Information).…”

Section: Methodsmentioning

confidence: 99%

Layer‐By‐Layer Assembly of Asymmetric Linkers into Non‐Centrosymmetric Metal Organic Frameworks: A Thorough Theoretical Treatment

Liu,

Elsing,

Esmaeilpour

et al. 2023

Adv Funct Materials

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Layer‐by‐layer synthesis of surface‐coordinated metal–organic frameworks (SURMOF) enables the assembly of asymmetric, dipolar linkers into non‐centrosymmetric pillar‐layered structures. Using appropriate substrate terminations can yield oriented growth with the dipoles aligned perpendicular to the surface. The aligned pillar linkers give rise to a built‐in electrostatic field. In addition, the non‐centrosymmetric structure of the SURMOF gives rise to intriguing nonlinear optical features, such as second harmonic generation. Previous research with methyl‐functionalized bipyridine pillar linkers have demonstrated that this approach works in principle, but so far the total degree of alignment is only very small. Herein, a multiscale modelling approach is presented for in‐silico SURMOF assembly to identify and overcome limitations in the growth of pillar‐layered SURMOFs and to develop a strategy to maximize linker alignment. Using master equation models and kinetic Monte Carlo simulations, it is found that the formation of a highly ordered state corresponding to the thermodynamic equilibrium is often prevented by long‐lasting transient effects. Based on ab initio binding energies for a wide selection of hypothetical pillar linkers, a fast‐binding, slow‐relaxation scheme is able to be identified during the SURMOF growth for a range of different pillar linkers. These observations allow them to derive a rational strategy for the design of novel linkers to yield SURMOF‐based non‐centrosymmetric materials with substantially improved properties.

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“…Simulation studies were carried out to measure the permeability of liquids using an open-ended microwave waveguide [10]. Static dielectric permittivity (ε0) and relaxation time (τ) was acquired by the least-square-fit method in [11]. Dielectric relaxation mechanisms and the temperature dependence of complex permeability of water were calculated in [12].…”

Section: Introductionmentioning

confidence: 99%

Effect of Different Kernel Functions on Hazardous Liquid Detection Using a Patch Antenna and Support Vector Machines

Efeoglu

Tuna

2022

Balkan Journal of Electrical and Computer Engineering

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Microwave spectroscopy method has become widespread in many applications including liquid classification. In this study, a microwave spectroscopy system that can classify liquids without opening the lid of their containers is proposed. Thus, the operators are prevented from being exposed to harmful substances and wasting time. Everyday liquids such as carbonated drinks, fruit juices, shampoo, cream and alcoholic beverages and hazardous liquids were characterized remotely by the microwave spectroscopy method in which spectroscopic signatures of a total of 52 liquids were used. In order to be able to classify liquids with the highest accuracy, it is also important to determine the most suitable measurement system as well as the correct selection of the classification algorithm and algorithm parameters that show the best performance. In this study, Support Vector Machines algorithm, which is a very successful algorithm in separating binary classes, is used. In addition, the effects of the algorithm on the classification performance have been examined using different kernel functions and cross-validation technique has been used for the performance analysis. As a result of the performance analysis, it is seen that up to 100% success can be achieved when linear or polynomial kernel functions have been preferred.

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Dielectric spectroscopy and hydrogen bonding studies of 1-chloropropane–ethanol mixture using TDR technique

Cited by 5 publications

References 18 publications

Dielectric Relaxation Studies of Hydrogen Bonded Complexes of Benzamide and Acetamide with Halogenated Phenols Using X-band Microwave Frequency

Dielectric Relaxation Studies of Hydrogen Bonded Complexes of Benzamide and Acetamide with Halogenated Phenols Using X-band Microwave Frequency

Layer‐By‐Layer Assembly of Asymmetric Linkers into Non‐Centrosymmetric Metal Organic Frameworks: A Thorough Theoretical Treatment

Effect of Different Kernel Functions on Hazardous Liquid Detection Using a Patch Antenna and Support Vector Machines

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