Design and synthesis of aryl-functionalized carbazole-based porous coordination cages

Rowland, Casey A.; Lorzing, Gregory R.; Bhattacharjee, Rameswar; Caratzoulas, Stavros; Yap, Glenn P. A.; Bloch, Eric D.

doi:10.1039/d0cc03910a

Design and synthesis of aryl-functionalized carbazole-based porous coordination cages

Journal Article · Fri Jul 03 00:00:00 EDT 2020 · ChemComm

DOI:https://doi.org/10.1039/d0cc03910a· OSTI ID:1801384

Rowland, Casey A. ^[1]; Lorzing, Gregory R. ^[2]; ^[3]; Caratzoulas, Stavros ^[3]; ^[4]; ^[5]

Univ. of Delaware, Newark, DE (United States). Dept. of Chemistry and Biochemistry; OSTI
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
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)

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.

View Accepted Manuscript (DOE)

Research Organization:: Univ. of Delaware, Newark, DE (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-06CH11357; SC0001004

OSTI ID:: 1801384

Alternate ID(s):: OSTI ID: 1638754

Journal Information:: ChemComm, Journal Name: ChemComm Journal Issue: 65 Vol. 56; ISSN 1359-7345

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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Design and synthesis of aryl-functionalized carbazole-based porous coordination cages

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