The possible formation of nano-clusters of succinic acid and maleic acid in tetrahydrofuran due to incomplete solvation
The possible formation of nano-clusters of succinic acid and maleic acid in tetrahydrofuran due to incomplete solvation
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Date
2007-12-01
Authors
Madhurima, V.
Sudheendran, K.
Raju, K. C.James
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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.
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Keywords
Ab initio,
Dielectric spectroscopy,
Maleic acid,
Nano-cluster,
Succinic acid,
THF
Citation
Molecular Simulation. v.33(14)