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Vol. 36 No. 7 (2024): Vol 36 Issue 7, 2024

Copyright (c) 2024 Nidhi Singh, Ramesh Thakur, Ashish Kumar, Praveen Sharmaa, Kuldeep Singh

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Effect of Additive (1-Butyl-1-methyl Pyrrolidinium Tetrafluoroborate) on Volumetric, Acoustic and Conductance Properties of Binary Aqueous Solutions of Benzylamine at T = (288.15, 298.15, 308.15, 318.15) K

https://doi.org/10.14233/ajchem.2024.31771
Nidhi
Department of Chemistry, Lovely Professional University, Phagwara-144411, India
https://orcid.org/0009-0008-2324-5680
Ramesh Chand Thakur
Department of Chemistry, Himachal Pradesh University, Summer Hill Shimla-171005, India
https://orcid.org/0000-0002-0499-7763
Ashish Kumar
Nalanda College of Engineering, Bihar Engineering University, Department of Science, Technology and Technical Education, Government of Bihar, Patna-803108, India
https://orcid.org/0000-0002-2003-6209
Praveen Kumar Sharma
Department of Chemistry, Lovely Professional University, Phagwara-144411, India
https://orcid.org/0000-0003-3583-9298
Kuldeep Singh
Department of Chemistry, MCM DAV College, Kangra-176001, India
https://orcid.org/0000-0002-8315-0471

Corresponding Author(s) : Ramesh Chand Thakur

drthakurchem@gmail.com

Asian Journal of Chemistry, Vol. 36 No. 7 (2024): Vol 36 Issue 7, 2024

Abstract

Effect of additive, 1-butyl-1-methyl pyrrolidinium tetrafluoroborate [BmPyrr+][BF4–] on the volumetric, acoustic and conductance properties of binary aqueous solution of benzylamine has been analyzed at equidistant temperature range using different techniques. Using density and speed of sound data, volumetric and acoustic parameters like apparent and partial molar volumes (Vφ and Vφ0), apparent and partial molar isentropic compressions (Kφ,S and K0φ,S), partial molar volume of transfer and partial molar isentropic compression of transfer (ΔVφ0 and ΔK0φ,S) have been calculated. Conductance parameters like molar conductance (Λm), limiting molar conductance (Λ°m) and activation energy are also calculated using conductance data. All these parameters were used to analyze various types of interactions present in the system. Furthermore, density functional theory (DFT) calculations were conducted for comprehensive understanding of structural variations of ion pairs affecting their physical properties. The hydrogen bond formation in the mixture components was examined by using IR spectrum. Both DFT and Hartee-Fock (HF) methods were used to analyze the results. In addition, the DFT/B3LYP-D3 calculations were also carried out to gather data on the molecular geometry, interactions and other molecular characteristics of the ionic liquid under study.

Keywords

1-Butyl-1-methylpyrrolidinium tetrafluoroborate Benzylamine Partial molar volume Solute-solvent interaction DFT
Nidhi, Thakur, R. C., Kumar, A., Sharma, P. K., & Singh, K. (2024). Effect of Additive (1-Butyl-1-methyl Pyrrolidinium Tetrafluoroborate) on Volumetric, Acoustic and Conductance Properties of Binary Aqueous Solutions of Benzylamine at T = (288.15, 298.15, 308.15, 318.15) K. Asian Journal of Chemistry, 36(7), 1620–1632. https://doi.org/10.14233/ajchem.2024.31771
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