An Azole-Based Metal–Organic Framework toward Direct White-Light Emissions by the Synergism of Ligand-Centered Charge Transfer and Interligand π–π Interactions

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• 作者：Rong Li ; Shuai-Hua Wang ; Zhi-Fa Liu ; Xu-Xing Chen ; Yu Xiao ; Fa-Kun Zheng ; Guo-Cong Guo
• 刊名：Crystal Growth & Design
• 出版年：2016
• 出版时间：July 6, 2016
• 年：2016
• 卷：16
• 期：7
• 页码：3969-3975
• 全文大小：578K
• 年卷期：0
• ISSN：1528-7505

文摘

An azole-based metal–organic framework [Cd(tzphtpy)₂]_n·6.5nH₂O, hydrothermally synthesized from the reaction mixture of a π-electron rich azole ligand 4-(tetrazol-5-yl)phenyl-2,2′:6′,2″-terpyridine (Htzphtpy) and CdBr₂·4H₂O, displays direct white-light emissions at a wide range of excitation wavelengths (286–386 nm) through modulating the relative intensity of complementary yellow and blue colors. Photoluminescence experiments and density of states and the calculations of time-dependent density functional theory demonstrate that the higher-energy blue emission is attributed to intraligand charge transfer, and the lower-energy yellow emission is related to interligand π–π interactions. The synergism of ligand-centered charge transfer and interligand π–π interactions is first found in white-light emitting azole-based metal–organic frameworks. Our work provides a new synthetic strategy for azole-based or other system white-light emitting materials.