title: Molecular interactions in ethyl acetate-chlorobenzene binary solution: Dielectric, spectroscopic studies and quantum chemical calculations.
abstract: Dielectric studies using Time Domain Reflectometry method has been carried out on the binary solution of Ethyl acetate (EA) with Chlorobenzene (CBZ) over the entire composition range. Spectroscopic (FTIR and13C NMR) signatures of neat EA, CBZ and their equimolar binary solution have also been recorded. The results of the spectroscopic studies favour the presence of (CBZ) CH⋯OC (EA), (EA) methylene CH⋯π electrons (CBZ) and (EA) methyl CH⋯Cl (CBZ) contacts which have been validated using quantum chemical calculations. Dimerization of CBZ has been identified. Presence of β-clusters has been identified in all the solutions. Although EA and CBZ molecules have nearly equal molar volumes, CBZ molecules experience larger hindrance for the rotation than EA molecules. Very small excess dielectric constant (εE) values may be correlated with weak heteromolecular forces and/or closed heteromolecular association.
authors.affiliation: Department of Physics, Thiagarajar College, Madurai-09, Tamil Nadu, India.
authors.forename: N K
authors.initials: NK
authors.lastname: Karthick
authors.affiliation: School of Physical Sciences, Swami Ramanand Teerth Marathwada University, Nanded 431606, Maharashtra, India.
authors.forename: A C
authors.initials: AC
authors.lastname: Kumbharkhane
authors.affiliation: Lal Bahadur Shastri Mahavidyalaya, Dharmabad Dist., Nanded, Maharashtra, India.
authors.forename: Y S
authors.initials: YS
authors.lastname: Joshi
authors.affiliation: Department of Physics, Thiagarajar College, Madurai-09, Tamil Nadu, India.
authors.forename: A
authors.initials: A
authors.lastname: Mahendraprabu
authors.affiliation: Department of Chemistry, Thiagarajar College, Madurai-09, Tamilnadu, India.
authors.forename: R
authors.initials: R
authors.lastname: Shanmugam
authors.affiliation: Department of Chemistry, Thiagarajar College, Madurai-09, Tamilnadu, India.
authors.forename: A
authors.initials: A
authors.lastname: Elangovan
authors.affiliation: Department of Physics, Thiagarajar College, Madurai-09, Tamil Nadu, India. Electronic address: arivuganesh@gmail.com.
authors.forename: G
authors.initials: G
authors.lastname: Arivazhagan
keywords: Cole-Cole plot; Debye model; Dimerization; NBO analysis; Relaxation time