2022
DOI: 10.1088/2053-1591/ac7ea2
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Dielectric relaxation and dipole moment studies of hydrogen bonded complexes for enanthamide and valeramide with halogenated phenols using J-band microwave frequency

Abstract: Dielectric investigations of hydrogen bonded complexes of Enanthamide and Valeramide with 4-bromophenol, 4-chlorophenol, 4-iodophenol and 4-fluorophenol in benzene were done at 303K, using a J-band (7.22GHz) microwave bench and dielectric relaxation setup. The permittivity of amides with halogenated phenol binary mixtures was measured in the microwave frequency range at temperatures ranging from 298K to 323K. At microwave frequencies; dielectric relaxation of ternary mixes of polar liquids in nonpolar fluids h… Show more

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Cited by 9 publications
(3 citation statements)
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“…The molecular structure of 5H2HM4HP, which was optimized through the B3LYP method using the 6‐311++G(d,p) basis set, is presented in Table 3 and Figure 5. The experimental 1 H NMR spectrum and the calculated 13 C and 1 H NMR values match, indicating high accuracy [46]. A distinct singlet with three protons integral at 2.59 ppm is observed in the NMR spectrum, attributed to the methyl protons bound to a sulfur atom.…”
Section: Resultsmentioning
confidence: 82%
“…The molecular structure of 5H2HM4HP, which was optimized through the B3LYP method using the 6‐311++G(d,p) basis set, is presented in Table 3 and Figure 5. The experimental 1 H NMR spectrum and the calculated 13 C and 1 H NMR values match, indicating high accuracy [46]. A distinct singlet with three protons integral at 2.59 ppm is observed in the NMR spectrum, attributed to the methyl protons bound to a sulfur atom.…”
Section: Resultsmentioning
confidence: 82%
“…The electrostatic potential V(r) plays a crucial role in this analysis, making the Molecular Electrostatic Potential (MEP) tool [35]. These descriptors closely relate to identifying regions of compounds suitable for electrophilic and nucleophilic reactions and hydrogen bond interactions [36]. Predicting the reactive sites for electrophilic and nucleophilic attacks on the studied compounds is essential in drug design, and the optimal geometry of MEP helps achieve this.…”
Section: Molecular Electrostatic Potentialmentioning
confidence: 99%
“…The current investigation is being done to identify noncovalent interactions between PA and halophenol in benzene. This work uses the Higashi technique 52 to validate Debye's single-frequency equation. The average relaxation time (τ 1 ), total relaxation time (τ 2 ), and geometric meantime (τ 0 ) are determined by the Debye equation, which defines slopes a' and a″.…”
Section: Interaction Region Indicator (Iri)mentioning
confidence: 99%