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Ionic aqueous solution has always been a system being extensively researched due to its widely application in electrochemistry,biochemistry and environmental chemistry.The infrared spectrum of C-N stretching of potassium thiocyanate in aqueous solution was simulated using a combined quantum mechanical and molecular dynamics simulation method.The vibrational solvatochromism and electrochromism of target chromophore at a given instantaneous time were calculated using a multi-antenna model to mapping electrostatic interactions of surrounding environments.