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The calculated IR and VCD spectra reveal insight into the intermolecular interactions, with good to excellent agreements with experimental spectra. Investigating the role of the cation, distances between the acidic carbon atom of the cation and the glucose carbon atom where ring closure and opening occurs are found, which are way shorter than dispersion-like interactions between aliphatic hydrocarbons.The use of monochloramine as an alternative disinfectant to chlorine in drinking water treatment can lead to increased forma