Study on the physical and chemical properties of dimethyl sulfoxide under the external electric field
Boyuan Han,
Jun Feng,
Nuerbiye Aizezi
et al.
Abstract:Dimethyl sulfoxide (DMSO) is a versatile solvent used in many fields such as medicine and organic synthesis, whereas it is poisonous and harmful to human health. Physical and chemical properties, including bond length, dipole moment, total energy, frontier orbital energy, infrared absorption spectrum as well as the Raman spectrum of the DMSO molecule under an external electric field ranging from 0 to 0.03 atomic units were calculated by using the density functional theory (DFT) with the B3LYP/6-311G++(2d, p) b… Show more
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