The possible formation of nano-clusters of succinic acid and maleic acid in tetrahydrofuran due to incomplete solvation

dc.contributor.author Madhurima, V.
dc.contributor.author Sudheendran, K.
dc.contributor.author Raju, K. C.James
dc.date.accessioned 2022-03-27T11:45:15Z
dc.date.available 2022-03-27T11:45:15Z
dc.date.issued 2007-12-01
dc.description.abstract In continuation of our work on the conformational analysis of succinic acid (SA) and maleic acid (MA) in different solvents, we present here the experimental dielectric and IR and also the ab initio Hartree-Fock calculations of the two dicarboxylic acids in tetrahydrofuran (THF). The dielectric measurements are carried out at microwave X-band frequency of 9.7GHz and the calculations are performed at STO-3G and 6-31G(d) basis sets. The dielectric data and the dipole moment determined experimentally are compared with the dipole moment determined from the conformal analysis. It is seen that the dielectric properties of SA/MA in THF are much different from that of SA/MA in 1-4, dioxane (1-4D) that we had reported previously. The IR spectra of SA-THF system is also reported here. The present study indicates the possible formation of nano-clusters of SA/MA in THF due to incomplete solvation by THF.
dc.identifier.citation Molecular Simulation. v.33(14)
dc.identifier.issn 08927022
dc.identifier.uri 10.1080/08927020701630197
dc.identifier.uri http://www.tandfonline.com/doi/abs/10.1080/08927020701630197
dc.identifier.uri https://dspace.uohyd.ac.in/handle/1/14646
dc.subject Ab initio
dc.subject Dielectric spectroscopy
dc.subject Maleic acid
dc.subject Nano-cluster
dc.subject Succinic acid
dc.subject THF
dc.title The possible formation of nano-clusters of succinic acid and maleic acid in tetrahydrofuran due to incomplete solvation
dc.type Journal. Article
dspace.entity.type
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