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首页> 外文期刊>Dalton transactions: An international journal of inorganic chemistry >Stable and color tunable emission properties based on non-cyclometalated gold(III) complexes
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Stable and color tunable emission properties based on non-cyclometalated gold(III) complexes

机译：基于非环金属化金（III）配合物的稳定和颜色可调发射特性

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摘要

Stable and emission tunable non-cyclometalated gold(III) triaryl complexes of the type [(L)Au(C6F5)(3)] [L = 2-(2,4-difluorophenylpyridine) (1), 4-phenylpyridine (2), 2-phenylpyridine (3), 2-phenylisoquinoline (4), 2-thienylpyridine (5)] were synthesized starting from a common precursor complex [(THT)Au(C6F5)(3)] [THT = tetrahydrothiophene] in good to modest yields. Extensive characterization of the complexes by various nuclear magnetic resonance spectroscopy techniques and elemental analysis further corroborated the single-crystal X-ray diffraction studies. The complexes displayed room temperature phosphorescence in the neat solid and in 2-MeTHF at 77 K. Detailed photophysical investigations of the complexes in the neat solid and at 77 K revealed the successful tuning of the emission maxima with modest quantum yields across the visible part of the electromagnetic spectrum depending on the electronic properties of the heterocyclic ligands. DFT (Density Functional Theory) and TDDFT (Time Dependent Density Functional Theory) calculations were performed to discern the composition of the excited state as well as confirm the obtained relative emission energies upon substitution with electronically different ligands. The obtained diverse emissive behavior of the complexes combined with the ease of synthesis illustrate the generality and applicability of the design approach to obtain emissive gold(III) complexes devoid of cyclometalation.
机译：[（L）Au（C6F5）（3）]类型的稳定且发射可调的非环金属化金（III）三芳基络合物[L = 2-（2,4-二氟苯基吡啶）（1），4-苯基吡啶（2） ，2-苯基吡啶（3），2-苯基异喹啉（4），2-噻吩基吡啶（5）]从常见的前体复合物[（THT）Au（C6F5）（3）]合成[产量不高。通过各种核磁共振波谱技术和元素分析对配合物进行了广泛的表征，进一步证实了单晶X射线衍射研究。配合物在77 K下在纯净固体和2-MeTHF中显示室温磷光。对纯净固体和在77 K下复合物的详细光物理研究表明，成功地调节了发射最大值，且在可见光部分可见量子产率适中。电磁光谱取决于杂环配体的电子性质。进行了DFT（密度泛函理论）和TDDFT（随时间变化的密度泛函理论）计算，以识别激发态的组成，并确认用电子不同的配体取代后获得的相对发射能。配合物获得的多种多样的发射行为与易于合成相结合，说明了设计方法的通用性和适用性，从而获得了没有环金属化的发射性金（III）配合物。

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