期刊
CHEMISTRY-AN ASIAN JOURNAL
卷 16, 期 5, 页码 521-529出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/asia.202001380
关键词
Gold(I); Carbene; Luminescence; Coinage Metal; Aurophilic Interactions
资金
- JICA-CKP/ARC, New Delhi, India [2018-01]
- CSIR, New Delhi, India [01(2884)/17/EMR-II]
- DST-WOS-A [WOS-A/CS-65/2016]
- UGC-SRF
- JSPS KAKENHI [18K05265, 18H03764, 19K21131, 20K15249]
- JST A-STEP [JPMJTM19C9]
- Ritsumeikan Global Innovation Research Organization (R-GIRO)
- Cooperative Research Program of the Network Joint Research Center for Materials and Devices (Tokyo Institute of Technology)
- CSIR
- Grants-in-Aid for Scientific Research [20K15249] Funding Source: KAKEN
The study presented the synthesis and luminescent features of three gold(I)-N-heterocyclic carbene complexes to investigate the influence of the n-alkyl group on luminescence properties in the crystalline state. The results showed that the n-alkyl group can lead to emission shifts in the solid-state luminescence spectra.
The synthesis and the luminescence features of three gold(I)-N-heterocyclic carbene (NHC) complexes are presented to study how the n-alkyl group can influence the luminescence properties in the crystalline state. The mononuclear gold(I)-NHC complexes, [(L-1)Au(Cl)] (1), [(L-2)Au(Cl)] (2), and [(L-3)Au(Cl)] (3) were isolated from the reactions between [(tht)AuCl] and corresponding NHC ligand precursors, [N-(9-acridinyl)-N'-(n-butyl)-imidazolium chloride, (L-1.HCl)], [N-(9-acridinyl)-N'-(n-pentyl)-imidazolium chloride, (L-2.HCl)] and [N-(9-acridinyl)-N'-(n-hexyl)-imidazolium chloride, (L-3.HCl)]. Their single-crystal X-ray analysis reveals the influence of the n-alkyl groups on solid-state packing. A comparison of the luminescence features of 1-3 with n-alkyl substituents is explored. The molecules 1-3 depicted blue emission in the solution state, while the yellow emission (for 1), greenish-yellow emission (for 2), and blue emission (for 3) in the crystalline phase. This paradigm emission shift arises from n-butyl to n-pentyl and n-hexyl in the crystalline state due to the carbon-carbon rotation of the n-alkyl group, which tends to promote unusual solid packing. Hence n-alkyl group adds a novel emission property in the crystalline state. Density Functional Theory and Time-Dependent Density Functional Theory calculations were carried out for monomeric complex, N-(9-acridinyl)-N'-(n-heptyl)imidazole-2-ylidene gold(I) chloride and dimeric complex, N-(9-acridinyl)-N'-(n-heptyl)imidazole-2-ylidene gold(I) chloride to understand the structural and electronic properties.
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