Preparation, Structure, Photoluminescent and Semiconductive Properties, and Theoretical Calculation of a Novel Cadmium Complex with Mixed Ligands
A novel cadmium complex with mixed ligands {[Cd(2,2'-biim)(4,4'-bipy)(H2O)(ClO4)] (ClO4)}n (1) (2,2'-biim = 2,2'-biimidazole; 4,4'-bipy = 4,4'-bipyridine) has been synthesized through hydrothermal reaction and its crystal structure was determined by single-crystal X-ray...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Slovenian Chemical Society
2017-12-01
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| Series: | Acta Chimica Slovenica |
| Subjects: | |
| Online Access: | https://journals.matheo.si/index.php/ACSi/article/view/3838 |
| Summary: | A novel cadmium complex with mixed ligands {[Cd(2,2'-biim)(4,4'-bipy)(H2O)(ClO4)] (ClO4)}n (1) (2,2'-biim = 2,2'-biimidazole; 4,4'-bipy = 4,4'-bipyridine) has been synthesized through hydrothermal reaction and its crystal structure was determined by single-crystal X-ray diffraction technique. Single-crystal X-ray diffraction analyses revealed that complex 1 crystallizes in the space group Pna21 of the orthorhombic system and exhibits a one-dimensional zigzag chain structure consisting of [Cd(2,2'-biim)(4,4'-bipy)(H2O)(ClO4)]nn+ cationic chains and isolated ClO4– anions. Powder photoluminescent characterization reveals that complex 1 has an emission in the green region of the spectrum. Time-dependent density functional theory (TDDFT) calculation showed that the nature of the photoluminescence of complex 1 is originated from the ligand-to-ligand charge transfer (LLCT; from the HOMO of the perchlorate anions to the LUMO of the 4,4'-bipy ligand). A wide optical band gap of 3.25 eV was found by the solid-state UV/vis diffuse reflectance spectrum. |
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| ISSN: | 1318-0207 1580-3155 |