Incrementing Stokes Shifts through the Formation of 2,2′-Biimidazoldiium Salts

Matsumoto, Shoji; Watanabe, Mei; Akazome, Motohiro

doi:10.1021/acs.orglett.8b01376

Cited by 5 publications

(2 citation statements)

References 45 publications

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“…BIM was synthesized with the methodology described in Ref. [60]. The final product was recrystallized in concentrated HI to afford the protonated product, BIMI 2 .…”

Section: Methodsmentioning

confidence: 99%

Material exploration via designing spatial arrangement of octahedral units: a case study of lead halide perovskites

Tang

et al. 2021

Front. Optoelectron.

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Halide perovskites have attracted tremendous attention as semiconducting materials for various optoelectronic applications. The functional metal-halide octahedral units and their spatial arrangements play a key role in the optoelectronic properties of these materials. At present, most of the efforts for material exploration focus on substituting the constituent elements of functional octahedral units, whereas designing the spatial arrangement of the functional units has received relatively little consideration. In this work, via a global structure search based on density functional theory (DFT), we discovered a metastable three-dimensional honeycomb-like perovskite structure with the functional octahedral units arranged through mixed edge-and corner-sharing. We experimentally confirmed that the honeycomb-like perovskite structure can be stabilized by divalent molecular cations with suitable size and shape, such as 2,2′-bisimidazole (BIM). DFT calculations and experimental characterizations revealed that the honeycomb-like perovskite with the formula of BIMPb2I6, synthesized through a solution process, exhibits high electronic dimensionality, a direct allowed bandgap of 2.1 eV, small effective masses for both electrons and holes, and high optical absorption coefficients, which indicates a significant potential for optoelectronic applications. The employed combination of DFT and experimental study provides an exemplary approach to explore prospective optoelectronic semiconductors via spatially arranging functional units.

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“…BIM was synthesized with the methodology described in Ref. [60]. The final product was recrystallized in concentrated HI to afford the protonated product, BIMI 2 .…”

Section: Methodsmentioning

confidence: 99%

Material exploration via designing spatial arrangement of octahedral units: a case study of lead halide perovskites

Tang

et al. 2021

Front. Optoelectron.

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“…Therefore, they can be used in solar cells and laser applications. 40 The benzimidazolium halides were synthesized according to the literature sources. 14,41 The NHCs were synthesized by mixing benzimidazolium halides as a N-heterocyclic carbene precursor with NaH in dry tetrahydrofuran (THF) for 6h at room temperature (rt) in an argon atmosphere.…”

Section: Resultsmentioning

confidence: 99%

Evaluation, synthesis and structural properties of stable bisbenzimidazolium tetrafluoroborates derived from unstable benzotetraazafulvalenes

Yılmaz¹,

Küçükbay²

2023

Arkivoc

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The stable dicationic tetrafluoroborate salts of tetraazafulvalenes were synthesized with unstable Nheterocyclic carbenes or enetetramines derived from benzimidazolium and bridged-bisbenzimidazolium halides. The structural characterizations of all the compounds were determined via spectroscopic methods 1 H-NMR, 13 C-NMR, IR, and MS and by elemental analysis respectively. Also, the effect of compound 1 as a ligand on the catalytic system was evaluated in the Suzuki-Miyaura reaction.

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