A benzothiazolium-derived colorimetric and fluorescent chemosensor (L) for detection of mercury ions has been prepared. The detection limits of the colorimetric and fluorescent method for mercury ions are and ppb, respectively, much lower than the reported chemosensors based on similar derivatives of benzothiazolium. The optimized molecular structures, absorption and fluorescence characteristics of the chemosensor and its complex with mercury ions were carried out using the calculations at the B3LYP/LanL2DZ level of theory, combination with Atoms in Molecules and Natural Bond Orbitals analyses. | Vietnam Journal of Chemistry, International Edition, 54(6): 692-698, 2016 DOI: A benzothiazolium-derived colorimetric and fluorescent chemosensor for detection of Hg2+ ions Doan Thanh Nhan1,4, Nguyen Khoa Hien2, Nguyen Thi Ai Nhung3, Nguyen Van Binh1, Nguyen Chi Bao1, Duong Tuan Quang1* 1 Department of Chemistry, Hue University of Education, Hue University 2 Mientrung Institute for Scientific Research, Vietnam Academy of Science and Technology Department of Chemistry – Hue University of Sciences, Hue University 3 4 Kontum Department of Education and Training Received 10 August 2016; Accepted for publication 19 December 2016 Abstract A benzothiazolium-derived colorimetric and fluorescent chemosensor (L) for detection of mercury ions has been prepared. The detection limits of the colorimetric and fluorescent method for mercury ions are and ppb, respectively, much lower than the reported chemosensors based on similar derivatives of benzothiazolium. The optimized molecular structures, absorption and fluorescence characteristics of the chemosensor and its complex with mercury ions were carried out using the calculations at the B3LYP/LanL2DZ level of theory, combination with Atoms in Molecules and Natural Bond Orbitals analyses. Keywords. Colorimetric, fluorescent, chemosensor, Hg2+ ions, benzothiazolium. 1. INTRODUCTION Mercury is of great concern in the toxic heavy metals and the least abundant in the crust of the Earth [1]. At the concentration levels of ppb, mercury ions can cause the negative impacts on the environment, animals, plants and humans. Mercury ions are toxic and danger to most living organisms at the higher concentration levels [2,3]. On humans, mercury can cause the changes in the structure of DNA and damage to the brain, gingivitis, stomatitis, digestive system and cause neurological disorders, even death. It is also believed to be associated with spontaneous abortion and congenital malformation .
