| HRMS | Macrocyclic products containing two to four negatively curved nanographene units; the trimeric macrocycle was the main product, with dimeric and tetrameric macrocycles present in trace amounts |
|---|
Xinyu Zhang, Kang Wei, Jinyi Wang, Mingxin He, Xiaoyu Zhang, Heng Zhang, Zheng Zhou, Yong Ni, Pingwu Du. “A triply negatively curved graphenic macrocycle.” ChemRxiv (). https://doi.org/10.26434/chemrxiv.15007482/v1
The main paper refers to supporting information, but no separate supporting information file was found among the files available from the ChemRxiv record
| Identifier | TNM |
|---|---|
| ¹H NMR | Five well-resolved aromatic proton singlets; all aromatic proton signals were shifted downfield relative to compound 4, with an approximately 1.0 ppm downfield shift for the protons adjacent to the macrocyclic linkage sites |
| Single-crystal XRD, geometry | A cyclic geometry with three saddle-shaped units; triangular macrocyclic geometry with internal angles of 53.5°, 58.2°, and 68.5° |
| Single-crystal XRD, crystal system, space group, and Z | Triclinic; P1̅; 2 |
| Single-crystal XRD, crystal packing | A framework featuring many pore-shaped nanochannels |
| UV–Vis absorption peaks (DCM) | 240 and 425 nm; shoulder peaks at 274, 461, and 492 nm |
| Fluorescence maximum (DCM, excitation at 400 nm) | 571 nm |
| Absolute fluorescence quantum yield (dilute DCM solution) | 6.7 % |
| Visible appearance and fluorescence | Yellow solution in DCM with orange luminescence; orange-red powder with orange fluorescence; orange crystals with hexagonal morphology |
| Time-resolved photoluminescence (DCM; emission 571 nm; excitation 395 nm), biexponential fit | 13.97 ns (86.63 %) and 54.39 ns (13.37 %) |
| Identifier | 4 |
|---|---|
| Fluorescence maximum (DCM, excitation at 400 nm) | 550 nm |
| Absolute fluorescence quantum yield (dilute DCM solution) | 2.6 % |
| Visible appearance and fluorescence | Pale-yellow solution in DCM with yellow luminescence |
| Job plot | Maximum at a mole fraction of 0.5, giving a 1:1 binding stoichiometry |
|---|---|
| ¹H NMR titration (400 MHz, toluene-d₈), 1:1 binding-model fit | Ka = 8.87 × 10³ M⁻¹ |
| Job plot | Maximum at a mole fraction of 0.5, giving a 1:1 binding stoichiometry |
|---|---|
| ¹H NMR titration (400 MHz, toluene-d₈), 1:1 binding-model fit | Ka = 5.05 × 10³ M⁻¹ |