Theoretical structural and vibrational properties of the artificial sweetener sucralose

► The studied properties of sucralose were compared with those of sucrose. ► A complete assignment of the 120 normal vibrational modes for sucralose was performed. ► Four strong bands in the IR spectrum are characteristic of sucralose in the solid. ► The topological properties for the two rings of sucralose were studied. ► The SQM force field was obtained for sucralose.