New Element Organic Frameworks Based on Sn, Sb, and Bi, with Permanent Porosity and High Catalytic Activity

Fritsch, Julia; Rose, Marcus; Wollmann, Philipp; Böhlmann, Winfried; Kaskel, Stefan

doi:10.3390/ma3042447

Cited by 38 publications

(42 citation statements)

References 22 publications

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“…70 These materials contain elements such as tin, antimony, and bismuth as nodes 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 10 wide applications. 71 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 works are devoted to this subject, the complicated synthesis and difficult recycling still remain a challenge for their wide applications.…”

Section: Acid and Base Catalysismentioning

confidence: 99%

Task-Specific Design of Porous Polymer Heterogeneous Catalysts beyond Homogeneous Counterparts

et al. 2015

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Porous organic polymers (POPs), which feature high surface areas and designable pore walls, have attracted much attention recently as a result of combining the advantages of both heterogeneous and homogeneous catalysts. Because of the diversity of chemical reactions, one could design polymer frameworks with unique functionalities used as active sites and ligands in catalysis. In the view of green chemistry, this perspective is focused mainly on rational preparation of the porous organic polymers under metal-free conditions and their applications in heterogeneous catalysis. It is observed that many POP-based heterogeneous catalysts demonstrate superior catalytic properties, even better than the homogeneous counterparts. The strategies for designing highly efficient heterogeneous catalysts are briefly assessed.

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Section: Acid and Base Catalysismentioning

confidence: 99%

Task-Specific Design of Porous Polymer Heterogeneous Catalysts beyond Homogeneous Counterparts

et al. 2015

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“…The maximum intensity peak has much stronger intensity compared with that of IRMOF-1. 42 Recently, germanium, 71-73 tin, 74 and lead 75,76 containing porous frameworks were synthesized, which represent a discovery in the push to design and synthesize the present COFs systems. Essentially, we are proposing a new corner configuration for COF materials.…”

Section: F Optical Response Properties and Substitution Engineeringmentioning

confidence: 99%

Ten new predicted covalent organic frameworks with strong optical response in the visible and near infrared

Dornfeld

Hui

et al. 2015

The Journal of Chemical Physics

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We use density functional theory to predict and evaluate 10 novel covalent organic frameworks (COFs), labeled (X4Y)(BDC)3, (X = C/Si; Y = C, Si, Ge, Sn, and Pb), with topology based on metal organic framework isoreticular metal-organic framework (IRMOF-1), but with new elements substituted for the corner atoms. We show that these new materials are stable structures using frequency calculations. For two structures, (C4C and Si4C) molecular dynamics simulations were performed to demonstrate stability of the systems up to 600 K for 10 ps. This demonstrates the remarkable stability of these systems, some of which may be experimentally accessible. For the C4C material, we also explored the stability of isolated corners and linkers and vacuum and started to build the structure from these pieces. We discuss the equilibrium lattice parameters, formation enthalpies, electronic structures, chemical bonding, and mechanical and optical properties. The predicted bulk moduli of these COFs range from 18.9 to 23.9 GPa, larger than that of IRMOF-1 (ca. 15.4 GPa), and larger than many existing 3D COF materials. The band gaps range from 1.5 to 2.1 eV, corresponding to 600-830 nm wavelength (orange through near infrared). The negative values of the formation enthalpy suggest that they are stable and should be experimentally accessible under suitable conditions. Seven materials distort the crystal structure to a lower space group symmetry Fm-3, while three materials maintain the original Fm-3m space group symmetry. All of the new materials are highly luminescent. We hope that this work will inspire efforts for experimental synthesis of these new materials.

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“…Recently, germanium-, 34 tin-, 35 and lead-36 containing porous frameworks were synthesized, which represent an discovery in the push to design and synthesize the present COFs systems. With the ongoing improvement of synthesis technique, we have condence that our predicted COFs could be synthesized in the future.…”

Section: E Optical Response In Visible and Ir Regionmentioning

confidence: 99%

Narrow bandgap covalent–organic frameworks with strong optical response in the visible and infrared

Ganz

Wang

et al. 2015

J. Mater. Chem. C

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Covalent-organic frameworks (COFs) are intriguing platforms for the molecular design of porous skeletons with special functionality. We predict a novel class of narrow bandgap COFs, i.e., (X 4 Y)(O 2 B-C 12 H 6 -BO 2 ) 3 ,featuring strong visible and infrared optical activity. The small band gaps are due strong p-conjugation in the organic linker. Density functional theory calculations demonstrate that the band gap is almost constant at 0.7 eV for whole series of materials. The corresponding threshold adsorption wavelength varies from 1600 to 1700 nm in the near infrared region. The estimated bulk moduli range from 18.0 to 22.6GPa, significantly larger than that of MOF-5 (ca. 15.4 GPa). This indicates high mechanical stability of the frameworks. Large negative values of formation enthalpy (À20 to À52 kJ mol À1 ) show high thermodynamic stability. We also investigate an easier to fabricate metal-organic framework material (Zn 4 O)(O 2 B-C 12 H 6 -BO 2 ) 3 using the same linkers, which also shows interesting narrow bandgap behavior. These novel IR-active materials may have potential applications in organic light-emitting devices, chemical and biological sensing, hybrid solar cells, or electroluminescence.

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New Element Organic Frameworks Based on Sn, Sb, and Bi, with Permanent Porosity and High Catalytic Activity

Cited by 38 publications

References 22 publications

Task-Specific Design of Porous Polymer Heterogeneous Catalysts beyond Homogeneous Counterparts

Task-Specific Design of Porous Polymer Heterogeneous Catalysts beyond Homogeneous Counterparts

Ten new predicted covalent organic frameworks with strong optical response in the visible and near infrared

Narrow bandgap covalent–organic frameworks with strong optical response in the visible and infrared

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