Two New Nonaborates with {B9} Cluster Open-Frameworks and Short Cutoff Edges
Abstract
:1. Introduction
2. Experimental Section
2.1. Syntheses
2.1.1. Syntheses of 1
2.1.2. Syntheses of 2
2.2. X-ray Crystallography
2.3. General Procedure
3. Result and Discussion
3.1. Structure of 1
3.2. Structure of 2
3.3. Structure Comparision
- (1)
- [B9O14(OH)4]5− and [B9O18(OH)2]11− FBBs: These two types of FBBs are composed of two different {B5} and {B4} clusters, which produce the 1D chains and 3D framework with different types of guest templates [15,33]. In Ni(en)3·Hen·[B9O13(OH)4]·H2O, the linear alternations of [B9O14(OH)4]5− ([9: (5: 4Δ + 1T) + (4: 2Δ + 2T)]) FBB build the 1D chains (Figure 3a) [33], while in Li2[B4O7][B5O8(OH)2], the [B9O18(OH)2]11− ([9: (5: 2Δ + 3T) + (4: 2Δ + 2T)]) FBB construct the 3D diamond framework (Figure 3b) [15].
- (2)
- (3)
- [B9O12(OH)6]3−, [B9O16(OH)3]8− and [B9O16(OH)4]9− FBBs: There are two different configurations of these nonaborate cluster FBBs, including the three corner-sharing [B3O8]7− clusters-made [B9O19]11− ([9: 3×(3: 2Δ + T)], FBB in 1) and the four BO4-sharing B3O3 rings-made [B9O16(OH)2]7− ([9: 3Δ + 6T)]) and its derived forms (FBB in 2). As described above, [B9O19]11− make up the 3D framework with intercommunicated channel networks. For the [B9O16(OH)2]7− and its derived clusters, only isolated and 1D structures were obtained before. [B9O12(OH)6]3− ([9: 6Δ + 3T]) FBB in [C(NH2)3]3[B9O12(OH)6] is an isolated cluster [36], joined by the abundant H-bond interactions to 3D supramolecular frameworks (Figure 3d). [B9O16(OH)3]8− ([9: 5Δ + 4T]) and [B9O16(OH)4]9− ([9: 4Δ + 5T]) FBBs in Na4[B9O14(OH)3]·0.5H2O and Na5[B9O14(OH)4] features two different 1D belt-like structures [37], respectively, which are originated from configurations of the clusters. In Na4[B9O14(OH)3]·0.5H2O, the Z-shape [B9O16(OH)3]8− interconnects via four terminal O atoms from the four [B3O3] rings, of which the terminal O atoms on the outboard [B3O3] ring is linked with those on the medial rings, making the 1D zigzag belt with 8-MR windows (Figure 3e), while in Na5[B9O14(OH)4], the half-occupied central B atom leads to the C-shape [B9O16(OH)4]9−, which further interconnects through the same linkages with the Z-shape [B9O16(OH)3]8−, constructing the 1D linear belt (Figure 3f). The 2D layer in 2 is the first 2D layer built from the nonaborate clusters.
3.4. Powder XRD Patterns
3.5. IR Spectra
3.6. UV–Vis Absorption Spectra
3.7. Thermal Analysis
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Conflicts of Interest
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1 | 2 | |
---|---|---|
Formula | Na2Ba0.5B9O16H2 | Na4Ca1.5B9O18H2 |
Molecular weight | 469.96 | 539.39 |
Crystal system | Monoclinic | Monoclinic |
Space group | P21/c | C2/c |
a/Å | 8.5705 (5) | 18.2310 (2) |
b/Å | 8.5174 (4) | 8.7009 (13) |
c/Å | 17.2249 (7) | 9.0209 (12) |
α/° | 90 | 90 |
β/° | 90.101 (4) | 97.299 (11) |
γ/° | 90 | 90 |
V/Å3 | 1257.42 (11) | 1419.3 (3) |
Z | 4 | 4 |
Dc/g cm−3 | 2.482 | 2.524 |
μ/mm−1 | 1.793 | 0.858 |
F (000) | 900 | 1060 |
Goodness-of-fit on F2 | 1.052 | 1.096 |
R indices [I > 2σ(I)] 1 | 0.0309 (0.0822) | 0.0529 (0.1576) |
R indices (all data) | 0.0393 (0.0869) | 0.0725 (0.1761) |
Largest peak/Deepest hole (e/Å3) | 1.043/−1.059 | 0.617/−1.049 |
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Chen, C.-A.; Yang, G.-Y. Two New Nonaborates with {B9} Cluster Open-Frameworks and Short Cutoff Edges. Molecules 2022, 27, 5279. https://doi.org/10.3390/molecules27165279
Chen C-A, Yang G-Y. Two New Nonaborates with {B9} Cluster Open-Frameworks and Short Cutoff Edges. Molecules. 2022; 27(16):5279. https://doi.org/10.3390/molecules27165279
Chicago/Turabian StyleChen, Chong-An, and Guo-Yu Yang. 2022. "Two New Nonaborates with {B9} Cluster Open-Frameworks and Short Cutoff Edges" Molecules 27, no. 16: 5279. https://doi.org/10.3390/molecules27165279