AIE active multianalyte fluorescent probe for the detection of Cu2+, Ni2+ and Hg2+ ions

Mehboobali Pannipara; Abdullah G Al-Sehemi; Ahmad Irfan; Mohammed Assiri; Abul Kalam; Yahya S Al-Ammari

doi:10.1016/j.saa.2018.04.052

AIE active multianalyte fluorescent probe for the detection of Cu²⁺, Ni²⁺ and Hg²⁺ ions

Spectrochim Acta A Mol Biomol Spectrosc. 2018 Aug 5:201:54-60. doi: 10.1016/j.saa.2018.04.052. Epub 2018 Apr 27.

Authors

Mehboobali Pannipara¹, Abdullah G Al-Sehemi², Ahmad Irfan³, Mohammed Assiri⁴, Abul Kalam², Yahya S Al-Ammari⁴

Affiliations

¹ Department of Chemistry, Faculty of Science, King Khalid University, P.O. Box 9004, Abha 61413, Saudi Arabia; Research Center for Advanced Materials Science (RCAMS), King Khalid University, P.O. Box 9004, Abha 61413, Saudi Arabia. Electronic address: mpannipara@kku.edu.sa.
² Department of Chemistry, Faculty of Science, King Khalid University, P.O. Box 9004, Abha 61413, Saudi Arabia; Research Center for Advanced Materials Science (RCAMS), King Khalid University, P.O. Box 9004, Abha 61413, Saudi Arabia.
³ Department of Chemistry, Faculty of Science, King Khalid University, P.O. Box 9004, Abha 61413, Saudi Arabia; Research Center for Advanced Materials Science (RCAMS), King Khalid University, P.O. Box 9004, Abha 61413, Saudi Arabia. Electronic address: ahmeed@kku.edu.sa.
⁴ Department of Chemistry, Faculty of Science, King Khalid University, P.O. Box 9004, Abha 61413, Saudi Arabia.

PMID: 29730554
DOI: 10.1016/j.saa.2018.04.052

Abstract

A novel pyrazolyl chromene derivative (Probe 1) displaying aggregation induced emission (AIE) properties that capable of sensing of multiple metal ions has been designed and synthesized. The multi analyte probe exhibits selective sensing for Cu²⁺ and Ni²⁺ ions via fluorescence turn-off mechanism and ratiometric selectivity for Hg²⁺ ions in aqueous media. The extent of binding of the probe with sensitive metal ions has been demonstrated. The experimental results were further investigated by computational means by optimizing the ground state geometries of Probe 1 and its various metal complexes for Probe 1-Ni, Probe 1-Hg and Probe 1-Cu using density functional theory (DFT) at B3LYP/6-31+g(d,p) (LANL2DZ) level. On the basis of binding energies, the stability of metal complexes has been studied. In Probe 1-Ni and Probe 1-Cu complexes, charge transfer has been observed from Probe 1 to metal ions revealing ligand to metal charge transfer (LMCT) while in Probe1-Hg complex LMCT as well as intra-molecular charge tranfer (ICT) within Probe 1.

Keywords: AIE; DFT; Heavy metals.