Design and synthesis of aryl-functionalized carbazole-based porous coordination cages
Abstract
A subset of coordination cages have garnered considerable recent attention for their potential permanent porosity in the solid state. Herein, we report a series of functionalized carbazole-based cages of the structure type M12(R-cdc)12 (M = Cr, Cu, Mo) where the functional groups include a range of aromatic substituents. Single-crystal X-ray structure determinations reveal a variety of intercage interactions in these materials, largely governed by pi–pi stacking. Density functional theory for a subset of these cages was used to confirm that the nature of the increased stability of aryl-functionalized cages is a result of inter-cage ligand interactions.
- Authors:
-
[3];
[1];
[4]
- Univ. of Delaware, Newark, DE (United States). Dept. of Chemistry and Biochemistry
- Univ. of Delaware, Newark, DE (United States). Dept. of Chemistry and Biochemistry. Center for Neutron Science. Dept. of Chemical and Biomolecular Engineering
- Univ. of Delaware, Newark, DE (United States). Catalysis Center for Energy Innovation (CCEI)
- Univ. of Delaware, Newark, DE (United States). Dept. of Chemistry and Biochemistry. Center for Neutron Science. Dept. of Chemical and Biomolecular Engineering. Catalysis Center for Energy Innovation (CCEI)
- Publication Date:
- Research Org.:
- Univ. of Delaware, Newark, DE (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1801384
- Alternate Identifier(s):
- OSTI ID: 1638754
- Grant/Contract Number:
- SC0001004; AC02-06CH11357
- Resource Type:
- Accepted Manuscript
- Journal Name:
- ChemComm
- Additional Journal Information:
- Journal Volume: 56; Journal Issue: 65; Journal ID: ISSN 1359-7345
- Publisher:
- Royal Society of Chemistry
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Rowland, Casey A., Lorzing, Gregory R., Bhattacharjee, Rameswar, Caratzoulas, Stavros, Yap, Glenn P. A., and Bloch, Eric D. Design and synthesis of aryl-functionalized carbazole-based porous coordination cages. United States: N. p., 2020.
Web. doi:10.1039/d0cc03910a.
Rowland, Casey A., Lorzing, Gregory R., Bhattacharjee, Rameswar, Caratzoulas, Stavros, Yap, Glenn P. A., & Bloch, Eric D. Design and synthesis of aryl-functionalized carbazole-based porous coordination cages. United States. https://doi.org/10.1039/d0cc03910a
Rowland, Casey A., Lorzing, Gregory R., Bhattacharjee, Rameswar, Caratzoulas, Stavros, Yap, Glenn P. A., and Bloch, Eric D. Fri .
"Design and synthesis of aryl-functionalized carbazole-based porous coordination cages". United States. https://doi.org/10.1039/d0cc03910a. https://www.osti.gov/servlets/purl/1801384.
@article{osti_1801384,
title = {Design and synthesis of aryl-functionalized carbazole-based porous coordination cages},
author = {Rowland, Casey A. and Lorzing, Gregory R. and Bhattacharjee, Rameswar and Caratzoulas, Stavros and Yap, Glenn P. A. and Bloch, Eric D.},
abstractNote = {A subset of coordination cages have garnered considerable recent attention for their potential permanent porosity in the solid state. Herein, we report a series of functionalized carbazole-based cages of the structure type M12(R-cdc)12 (M = Cr, Cu, Mo) where the functional groups include a range of aromatic substituents. Single-crystal X-ray structure determinations reveal a variety of intercage interactions in these materials, largely governed by pi–pi stacking. Density functional theory for a subset of these cages was used to confirm that the nature of the increased stability of aryl-functionalized cages is a result of inter-cage ligand interactions.},
doi = {10.1039/d0cc03910a},
journal = {ChemComm},
number = 65,
volume = 56,
place = {United States},
year = {Fri Jul 03 00:00:00 EDT 2020},
month = {Fri Jul 03 00:00:00 EDT 2020}
}
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