Four supramolecular transition metal(II) complexes based on triazole-benzoic acid derivatives: crystal structure, Hirshfeld surface analysis, and spectroscopic and thermal properties

作者：Wang, Da-Wei; Wang, Tao; Du, Lin; Zhou, Jie; Yan, Tong; Zhao, Qi-Hua^*

来源：Structural Chemistry, 2018, 29(4): 1013-1023.

DOI：10.1007/s11224-018-1084-6

• Triazole
• Crystal structure
• Hirshfeld surface analysis
• Spectroscopic property
• Thermal behavior

Four new complexes [M(3-tba)(2)(H2O)(4)] (1-3) and [Co(4-tba)(2)(H2O)(4)] (4) {M = Zn (1), Ni (2), Co (3), 3-Htba = 3-(1H-1,2,4-triazol-1-yl)benzoic acid, 4-Htba = 4-(1H-1,2,4-triazol-1-yl)benzoic acid} have been synthesized under solvothermal conditions and structurally characterized by single crystal X-ray diffraction. Complexes 1-4 are also determined by elemental analysis, X-ray powder diffraction, IR and electronic spectroscopy. Single crystal X-ray diffraction reveals that complexes 1-3 are isostructural and they crystallize in the orthorhombic space group of Pbca, while complex 4 belongs to triclinic system with P (1) over bar space group. Based on different intermolecular hydrogen bonding and pi...pi stacking interactions, complexes 1-4 further assembled into 3D supramolecular frameworks. Hirshfeld surface analysis was used to further study the intermolecular interactions of the complexes. The thermogravimetric analyses (TGA) reveal that these complexes possess good thermal stability, and the differential scanning calorimetry (DSC) analyses show intense exothermic phenomena in the decomposition processes of triazole groups. Besides, the photoluminescence property of complex 1 in the solid state is also determined.

• 出版日期2018-8
• 单位西南林业大学; 云南大学