N-Alkyl Chain Induced Molecular Aggregation in Mononuclear Gold(I)-N-Heterocyclic Carbene Complexes for Blue Light Emitting Applications

IF 3.5 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY
Gopendra Muduli, Moulali Vaddamanu, Arruri Sathyanarayana, Kumar Siddhant, Arushi Rawat, Kyohei Hisano, Osamu Tsutsumi, Ganesan Prabusankar
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引用次数: 0

Abstract

The gold(I) N-heterocyclic carbene (NHC) molecule exhibits outstanding luminescent properties along with high thermal stability due to its strong carbene gold bond. Gold(I)-NHC complexes are known to emit green to yellow color, while blue emission is limited. Herewith, we report the photoluminescence and thermal stability correlation between blue emitting mononuclear gold(I)-NHC chloride complexes, N-(9-anthracenyl)-N’(n-alkyl)imidazol-2-ylidene gold(I) chloride (alkyl=n-butyl (1), n-pentyl (2), n-hexyl (3)). These complexes were synthesized by transmetallation route and characterized by FT-IR, NMR, TGA, and single crystal X-ray diffraction analysis. The solid-state study reveals a unique molecular packing due to hydrogen bonding, aurophilic interaction, and CH⋅⋅⋅π interactions in all 1–3. In addition, the π⋅⋅⋅π stacking has been found in 1. All these complexes show good thermal stability due to the strong metal-ligand bond strength along with crystal packing. In addition, 13 emits a blue colour in both solution and crystalline state. The quantum yield in the crystalline state was found to be higher for 1 (22.44 %) compared to 2 (9.90 %), and 3 (14.98 %). A similar high quantum yield for blue-emitting gold(I)-NHC chloride complex is rare. This promising quantum yield for 1 can be ascribed to the crystal packing effect. The theoretical calculations were carried out to understand the electronic and structural properties of 13. Computational studies revealed the origin of the luminescence behaviour of complexes. The blue light emitting thin film and LED are demonstrated using 1 exhibited the emission peak at the blue region with Commission Internationale de L'Eclairage (CIE) coordinates near the National Television Standards Committee (NTSC) value.

单核金(I)- n -杂环卡宾配合物中n -烷基链诱导的分子聚集在蓝光发射中的应用。
我们报道了蓝色发光单核金(I)- nhc氯配合物N-(9-蒽基)-N'(N-烷基)咪唑-2-酰基金(I)氯(烷基=正丁基(1),正戊基(2),正己基(3))的光致发光和热稳定性的相关性。固态研究表明,在所有1-3中,由于氢键、亲光相互作用和CH···π相互作用,形成了独特的分子堆积。此外,在1中发现了π···π堆积。这些配合物都表现出良好的热稳定性,这是由于金属与配体的结合强度和晶体的排列方式。此外,1-3在溶液和结晶状态下都会发出蓝色。晶体态的量子产率为1(22.44%),高于2(9.90%)和3(14.98%)。蓝色发光金(I)-NHC氯化物配合物的类似高量子产率是罕见的。这种有希望的1的量子产率可归因于晶体填充效应。通过理论计算了解了1-3的电子和结构性质。计算研究揭示了配合物发光行为的起源。蓝色发光薄膜和LED用1展示了蓝色区域的发射峰,国际照明委员会(CIE)坐标接近国家电视标准委员会(NTSC)的值。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Chemistry - An Asian Journal
Chemistry - An Asian Journal 化学-化学综合
CiteScore
7.00
自引率
2.40%
发文量
535
审稿时长
1.3 months
期刊介绍: Chemistry—An Asian Journal is an international high-impact journal for chemistry in its broadest sense. The journal covers all aspects of chemistry from biochemistry through organic and inorganic chemistry to physical chemistry, including interdisciplinary topics. Chemistry—An Asian Journal publishes Full Papers, Communications, and Focus Reviews. A professional editorial team headed by Dr. Theresa Kueckmann and an Editorial Board (headed by Professor Susumu Kitagawa) ensure the highest quality of the peer-review process, the contents and the production of the journal. Chemistry—An Asian Journal is published on behalf of the Asian Chemical Editorial Society (ACES), an association of numerous Asian chemical societies, and supported by the Gesellschaft Deutscher Chemiker (GDCh, German Chemical Society), ChemPubSoc Europe, and the Federation of Asian Chemical Societies (FACS).
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