Abstract
A novel bismuth photoluminescent material, (N,N'-dimethyl-2,2'-bipy)2(Bi2Cl10) · 2H2O (1) (bipy = bipyridine), with the N,N'-dimethyl-2,2'-bipy2+ moiety obtained in situ, has been synthesized under solvothermal conditions and characterized by single-crystal X-ray diffraction. Compound 1 is characterized by an isolated structure, consisting of N,N'-dimethyl- 2,2'-bipy2+ cations, Bi2Cl10 4- anions and lattice water molecules. Photoluminescence experiments with solidstate samples discover that compound 1 exhibits a strong emission in the green region. Time-dependent density functional theory (TDDFT) calculation reveals that the essence of the photoluminescence of 1 can be assigned to the combination of the metal-to-ligand charge transfer (MLCT) (from the HOMO of the bismuth ion to the LUMO of the N,N'-dimethyl-2,2'-bipy2+ moiety) and the ligand-to-ligand charge transfer (LLCT) (from the HOMO of the chloride ions to the LUMO of the N,N'-dimethyl-2,2'-bipy2+ moiety).
Highlights
In recent years, bismuth compounds have gained increasing interest and have been broadly investigated because they can generally exhibit attractive properties for applications in the fields of medicine, biology, chemistry and so forth.[1,2] To our knowledge, as a heavy p-block element of the group 15, bismuth displays variable stereochemical activity, large ionic radius and flexible coordination geometries which allow it to be applied to build different crystal architectures
We report the preparation, crystal structure, photoluminescence, Time-dependent density functional theory (TDDFT) study of a novel bismuth photoluminescent compound, i.e. (N,N’-dimethyl-2,2’-bipy)2(Bi2Cl10) · 2H2O (1) that is synthesized by a solvothermal reaction
We deem that the in situ reaction has happened during the solvothermal process
Summary
Bismuth compounds have gained increasing interest and have been broadly investigated because they can generally exhibit attractive properties for applications in the fields of medicine, biology, chemistry and so forth.[1,2] To our knowledge, as a heavy p-block element of the group 15, bismuth displays variable stereochemical activity, large ionic radius and flexible coordination geometries which allow it to be applied to build different crystal architectures. Organic ligands with various functional groups are important in the construction of metal compounds. As a very strong N-ligating ligand, 2,2’-bipy is important to offer potential supramolecular recognition sites to give attractive supramolecular structures. For the sake of exploring novel bismuth compounds with new structural motifs and interesting properties, we aim at the design and synthesis of novel bismuth compounds with different organic ligands under solvothermal conditions. It should be pointed out that this is the first bismuth compound with a methylated 2,2’-bipy moiety
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