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The first Cd-Hg 2,2′-bipyridine compound, [Cd(2,2′-bipy) 3 ](Hg 2 Cl 7 )·H 3 O ( 1 ), (2,2′-bipy = 2,2′-bipyridine), has been solvothermally prepared and characterized by single-crystal X-ray diffraction. Compound  1  is characterized by an isolated structure, comprising [Cd(2,2′-bipy) 3 ] 2+  cations, (Hg 2 Cl 7 ) 3–  anions and protontated lattice water molecules. Photoluminescence investigation discovers that compound  1  displays an emission in the yellow region. It has remarkable CIE (Commission Internationale de I'Éclairage) chromaticity coordinates of (0.5126, 0.4865). Its CCT (Correlated Color Temperature) is 2510 K. Time-dependent density functional theory (TDDFT) calculations reveal that the emission is attributed to ligand-to-ligand charge transfer (LLCT).

The first Cd–Hg 2,2′-bipyridine material: structure, properties and TDDFT calculations