Syntheses, structures, thermal and luminescent properties of cadmium(II) complexes based on quinazoline and phthalazine

Six cadmium(II) compounds [Cd(Qnz)2(SCN)2]n (1), [Cd(Qnz)2(dca)2]n (2), [Cd(Qnz)2(N3)2]}n (3), [Cd2(μ-SCN-κ2N:S)2(SCN)2(Ptz)4(H2O)2] (4), [Cd(Ptz)2(dca)2]n (5) and [Cd(Ptz)(MeOH)(N3)2]n (6) were successfully synthesized and characterized by single-crystal diffraction. Additionally, the samples were characterized by powder X-ray diffraction (PXRD), thermal analysis and IR spectroscopy. The fluorescence properties of 1, 2, 3, 5 and 6 were studied in solid state, while emission spectrum of 4 was recorded in methanolic solution. All they were compared with the fluorescence properties of the free ligands. Additionally, the electronic spectrum of 4 was investigated at the TDDFT level employing B3LYP functional in combination with LANL2DZ.

Graphical abstractSix cadmium(II) compounds [Cd(Qnz)2(SCN)2]n (1), [Cd(Qnz)2(dca)2]n (2), [Cd(Qnz)2(N3)2]}n (3), [Cd2(μ1,3-SCN)(SCN)2(Ptz)4(H2O)2] (4), [Cd(Ptz)2(dca)2]n (5) and [Cd(Ptz)(MeOH)(N3)2]n (6) were successfully synthesized and characterized by single-crystal diffraction. Additionally, the samples were characterized by powder X-ray diffraction (PXRD), thermal analysis and IR spectroscopy. The fluorescence properties of 1, 2, 3, 5 and 6 were studied in solid state, while emission spectrum of 4 was recorded in methanolic solution. All they were compared with the fluorescence properties of the free ligands. Additionally, the electronic spectrum of 4 was investigated at the TDDFT level employing B3LYP functional in combination with LANL2DZ.Figure optionsDownload full-size imageDownload as PowerPoint slide