Dielectric study of H-bonded interactions in amyl alcohols with ketones and DMSO at  T  =  298.15  K

Gilani, A. Ghanadzadeh; Moghadam, M.; Ghorbanpour, T.

doi:10.1016/j.jct.2017.06.020

Cited by 27 publications

(7 citation statements)

References 70 publications

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“…Using density functional theory (DFT), they have estimated an internuclear distance of 3.16 Å among interacting atoms in cyclopentanone molecules (between the carbon and oxygen atoms of cyclopentanone molecules). In contrast to this cyclic ketone, the correlation factors for aliphatic ketones such as acetone and its derivatives in nonpolar solvents are larger than one, 2,3 suggesting parallel molecular dipole association.…”

Section: Introductionmentioning

confidence: 82%

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Permittivities, Refractive Indices, Densities, and Excess Properties for Binary Systems Containing 1-Alkanols and Cyclopentanone

Gilani

Ramezani

2018

J. Chem. Eng. Data

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This study reports the experimental relative permittivity, refractive index, and density data for several polar binary systems containing a cyclic ketone (cyclopentanone) and a series of alkanols from C 2 to C 10 over the entire composition range at T = 298.15 and p = 101.3 kPa. Further study was performed on a polar−nonpolar system composed of cyclopentanone and cyclohexane at the mentioned temperature and pressure. The experimental data were analyzed with various approaches in a consistence framework and in terms of intermolecular interactions between the constituent molecules. The effective and corrective Kirkwood correlation factors were calculated, in order to investigate the H-bond structure formation in the mixtures. The intermolecular interactions were investigated through various excess parameters, namely, excess permittivity, excess refractive index, excess molar volumes, excess Helmholtz energies, and excess Kirkwood correlation factors.

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Section: Introductionmentioning

confidence: 82%

“…In our previous publications, − the dielectric, optical, and related excess data were reported for several H-bond donor/H-bond acceptor systems. Mainly heavy alcohols and noncyclic ketones were selected in the dielectric and optical studies, as they show a range of different behaviors.…”

Section: Introductionmentioning

confidence: 99%

Permittivities, Refractive Indices, Densities, and Excess Properties for Binary Systems Containing 1-Alkanols and Cyclopentanone

Gilani

Ramezani

2018

J. Chem. Eng. Data

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“…Until now, valuable dielectric and other thermochemical studies have been performed on the nature and strength of interactions between the constituent molecules in various hydrogen-bonded or non-hydrogen-bonded systems. − Among the many investigated hydrogen-bonded systems, the ketone–alcohol/diol systems are of particular interest. − This interest stimulated from their widespread applications in a variety of chemical and biological processes. Moreover, they are typical model systems in studying the hydrogen-bonded network structures.…”

Section: Introductionmentioning

confidence: 99%

Dielectric, Volumetric, Refractometric, and Excess Properties of (Cycloalkanone + Pentanol Isomers) Systems at T = 298.15 K

Gilani

Mirkhalili

2021

J. Chem. Eng. Data

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Relative permittivity, refractive index, and density data were experimentally determined for several binary systems (cyclopentanone or cyclohexanone + pentanol isomers) over the entire composition range at 298.15 K and 101.3 kPa for the first time. The selected pentanol isomers were 1-pentanol, 2-pentanol, 3-pentanol, isopentanol, and tert-pentanol. The experimental physicochemical data were used to calculate the various excess quantities. These quantities were applied to interpret the manner of cycloalkanone−pentanol interactions. Excluding the mixtures containing tertiary pentanol, the excess permittivities were found to be negative for all the studied systems. The mixtures containing the weakly associated tert-pentanol display a reverse physicochemical and excess behavior when compared to the systems containing the strongly associated primary and secondary pentanols. The Redlich−Kister equation was used to fit the experimental excess molar volumes. For the studied systems, a negative correlation exists between the excess molar volume (V̅ E ) and excess refractive index (n E ).

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“…The physicochemical and their corresponding excess data were reported for several ketone-diol/alcohol systems in our earlier publications. − Mainly primary alkanols or alkanediols and cyclic ketones have been chosen in the optical, dielectric, and volumetric investigations, because they display different physicochemical behaviors. In previous reports, extensive studies have been performed and discussed on the physicochemical behavior of various hydrogen-bonded systems under different physical environment and composition ranges. − They have provided significant remarks concerning homogeneous or heterogeneous intermolecular interactions in hydrogen-bonded liquid systems. − …”

Section: Introductionmentioning

confidence: 99%

Cyclopentanone–Alkanediol Systems: Experimental and Theoretical Study on Hydrogen-Bond Complex Formation

GhanadzadehGilani

Dafrazi

Delcheh

et al. 2020

Ind. Eng. Chem. Res.

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This study presents the influence of molecular interaction and molecular ordering on the physicochemical properties and the excess values of the binary mixtures containing several alkanediols and a symmetric cyclic ketone (cyclopentanone) at 298.15 K and 101.3 kPa. Thus, experimental values of the permittivity, density, and refractive index were determined for the alkanediol−cyclopentanone systems over the entire range of mole fraction. A series of straight-chain primary alkanediols, each having two primary hydroxyl groups, were 1,2-ethanediol, 1,3-propanediol, 1,4-butanediol, and 1,5pentandiol. Meanwhile, the other alkanediols (1,2-propanediol and 1,3-butanediol) possesses both primary and secondary hydroxyl groups. The measured data were coherently analyzed by the conventional methods, leading to different excess values. The calculated excess quantities indicate the existence of hydrogen-bonding network in the studied systems. The excess values of relative permittivity, molar volume, and Kirkwood correlation factors were found to be negative for all of the binary mixtures, suggesting the formation of multimer structures, the reduction of the effective dipole moments, and the opposite alignment of dipoles in the mixtures. In order to support the experimental data, theoretical calculations were performed using density functional theory (DFT). The optimization of the structures were performed by the B3LYP/6-311G (d,p) DFT level.

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Dielectric study of H-bonded interactions in amyl alcohols with ketones and DMSO at T = 298.15 K

Cited by 27 publications

References 70 publications

Permittivities, Refractive Indices, Densities, and Excess Properties for Binary Systems Containing 1-Alkanols and Cyclopentanone

Permittivities, Refractive Indices, Densities, and Excess Properties for Binary Systems Containing 1-Alkanols and Cyclopentanone

Dielectric, Volumetric, Refractometric, and Excess Properties of (Cycloalkanone + Pentanol Isomers) Systems at T = 298.15 K

Cyclopentanone–Alkanediol Systems: Experimental and Theoretical Study on Hydrogen-Bond Complex Formation

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