Crystal structures, luminescence, and DFT study of mixed-ligand Zn(II) and Cd(II) complexes with phenyl-containing benzimidazole derivatives with linker C N or N N group

Assembly of a cadmium(ii)-based chiral complex: crystal structure and optical properties for solid state white-light emission applications

“…However, uncertainties remain in accurately attributing the shoulder and transitions at lower energies. 21–24 The absorption band around 461 nm exists only in the absorption spectrum of [Cd(Br) 2 ( S -NA) 2 ], consistent with the MLCT charge transfer via the bromine atoms of the coordination sphere of the cadmium atom.…”

Zinc(II) Complex Containing Oxazole Ring: Synthesis, Crystal Structure, Characterization, DFT Calculations, and Hirshfeld Surface Analysis

“…Bond angles of the internal coordination sphere of the complex, which are different from the ideal angle of 109° for a perfect tetrahedral geometry, are [(Cl3-Zn1-Cl4) 120.52(3)°, (Cl3-Zn1-N1) 108.88(7)°, (Cl3-Zn1-N2) 104.79(7)°, (Cl4-Zn1-N2) 109.70(8)°, and (Cl4-Zn1-N1) 104.99 (7)°]. The Zn-Cl bond distances range between 2.1986(7) and 2.2799(14) Å, and the bond angles involving the Zn(II) atom range between 97.5(13)° and 114.87 (11)° are comparable to those found in the literature. 24,25 The bond distances between Zn1-N1 (2.068(3)) and Zn1-N2 (2.042(3)) are shorter than those between Zn1-Cl3 (2.2154 (9)) and (Zn-Cl4 2.2227( 9)), indicating that the interaction between Zn(II) metal center and N atom is stronger than that between Zn(II) and Cl atom.…”

“…Similarly, benzoxazole derivatives have also been used to stabilize zinc in a +2 oxidation state. 11 Because of their good emission properties and inexpensive cost compared to other d 10 metal complexes, zinc (II) complexes have been shown to be important candidates for electroluminescent applications. For example, the Zinc(II) complex of [(2-(2-hydroxyphenyl)benzoxazole)(2-methyl-8-hydroxyquinoline)] has been recognized as a blue-emitting zinc complex to fabricate stacked organic light-emitting diodes.…”

Efficient emission of Zn(ii) and Cd(ii) complexes with nopinane-annelated 4,5-diazafluorene and 4,5-diazafluoren-9-one ligands: how slight structural modification alters fluorescence mechanism

“…Zinc( ii ) and cadmium( ii ) complexes establish one of the most important classes of emissive compounds. 71–121 Earlier, we synthesized a series of mononuclear zinc( ii ) and cadmium( ii ) complexes with hybrid ligands containing a 2,2′-bipyridine moiety and natural terpene (+)-limonene or (+)-3-carene moieties and demonstrated that they exhibit luminescence with the quantum yield increasing in the following order: free ligand < cadmium( ii ) complex < zinc( ii ) complex. 122 The complexes with the limonene derivative demonstrate excitation wavelength–dependent emission with nanosecond and microsecond lifetimes of the excited states.…”