Reactions of 2,3-Dibromonaphthalene-1,4-Dione and  Pyridyl Amines: X-ray Structures, DFT Investigations, and Selective Detection of the Hg2+ and Ni2+ Ions

Gunjan Aggrwal,1

Sunita Salunke-Gawali,1*Email

Shridhar P. Gejji,1

ilind Nikalje,1

Debamitra Chakravarty,2

Prakash L. Verma,1

Prajkta Gosavi-Mirkute,1

Shital Harihar,1

Mahesh Jadhav1 

Vedavati G. Puranik3

1Department of Chemistry, Savitribai Phule Pune University, Pune 411007, Maharashtra State, India

2Central Instrumentation Facility, Savitribai Phule Pune University, Pune 411007,   Maharashtra State, India

3Centre for material Characterization, National Chemical Laboratory, Pashan Road, Maharashtra State, Pune 411008, India

Abstract

In this work, the products formed by the reaction between 2,3-dibromonaphthalene-1,4-dione with (pyridine-2-yl)methanamine and (pyridine-4-yl)methanamine are discussed in detial. The products 2-amino-3-bromonaphthalene-1,4-dione (A) and 2-aminonaphthalene-1,4-dione (B(1)) obtained are characterized through 1H and 13C-NMR, FTIR, mass spectrometry, single-crystal X-ray diffraction experiments, which are in conjunction with wB97X based density functional theory. compound A can effectively and selectively detect Hg2+ and Ni2+ ions, and proposes a potential mechanism of action.

Reactions of 2,3-Dibromonaphthalene-1,4-Dione and  Pyridyl Amines: X-ray Structures, DFT Investigations, and Selective Detection of the Hg2+ and Ni2+ Ions