Electron transitions in a Ce(iii)-catecholate metal-organic framework

Julia G. Knapp; Debmalya Ray; Paul B. Calio; Megan C. Wasson; Thais R. Scott; Laura Gagliardi; Omar K. Farha

doi:10.1039/d1cc06440a

Electron transitions in a Ce(iii)-catecholate metal-organic framework

Julia G. Knapp, Debmalya Ray, Paul B. Calio, Megan C. Wasson, Thais R. Scott, Laura Gagliardi, Omar K. Farha^*

^*Corresponding author for this work

Chemistry

Research output: Contribution to journal › Article › peer-review

4 Scopus citations

Abstract

A rare three-dimensional catecholate-based Ce(iii) metal-organic framework (MOF), denoted as NU-1701, has been synthesized and crystallographically characterized. Density functional theory calculations highlight various possible electronic transitions that may present in NU-1701. These transitions are competitive and indicate increased lanthanide character of Ce(iii).

Original language	English (US)
Pages (from-to)	525-528
Number of pages	4
Journal	Chemical Communications
Volume	58
Issue number	4
DOIs	https://doi.org/10.1039/d1cc06440a
State	Published - Jan 14 2022

ASJC Scopus subject areas

Catalysis
Electronic, Optical and Magnetic Materials
Ceramics and Composites
General Chemistry
Surfaces, Coatings and Films
Metals and Alloys
Materials Chemistry

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10.1039/d1cc06440a

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title = "Electron transitions in a Ce(iii)-catecholate metal-organic framework",

abstract = "A rare three-dimensional catecholate-based Ce(iii) metal-organic framework (MOF), denoted as NU-1701, has been synthesized and crystallographically characterized. Density functional theory calculations highlight various possible electronic transitions that may present in NU-1701. These transitions are competitive and indicate increased lanthanide character of Ce(iii).",

author = "Knapp, {Julia G.} and Debmalya Ray and Calio, {Paul B.} and Wasson, {Megan C.} and Scott, {Thais R.} and Laura Gagliardi and Farha, {Omar K.}",

note = "Funding Information: The authors acknowledge support from the U.S. Department of Energy, National Nuclear Security Administration, under Award Number DE-NA0003763. J. G. K. and M. C. W. acknowledge support from the National Science Foundation Graduate Research Fellowship under Award Number DGE-1842165. T. R. S. acknowledges that this material is based upon work supported by the National Science Foundation Graduate Research Fellowship Program under Grant No. CON-75851, project 00074041. This work made use of the IMSERC Crystallography and NMR facilities at Northwestern University, which have received support from the Soft and Hybrid Nanotechnology Experimental (SHyNE) Resource (NSF ECCS-2025633), and Northwestern University. This work made use of the Keck-II facility of Northwestern University{\textquoteright}s NUANCE Center, which has received support from the SHyNE Resource (NSF ECCS-2025633), the IIN, and Northwestern{\textquoteright}s MRSEC program (NSF DMR-1720139). Publisher Copyright: {\textcopyright} The Royal Society of Chemistry.",

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doi = "10.1039/d1cc06440a",

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AU - Knapp, Julia G.

AU - Ray, Debmalya

AU - Calio, Paul B.

AU - Wasson, Megan C.

AU - Scott, Thais R.

AU - Gagliardi, Laura

AU - Farha, Omar K.

N1 - Funding Information: The authors acknowledge support from the U.S. Department of Energy, National Nuclear Security Administration, under Award Number DE-NA0003763. J. G. K. and M. C. W. acknowledge support from the National Science Foundation Graduate Research Fellowship under Award Number DGE-1842165. T. R. S. acknowledges that this material is based upon work supported by the National Science Foundation Graduate Research Fellowship Program under Grant No. CON-75851, project 00074041. This work made use of the IMSERC Crystallography and NMR facilities at Northwestern University, which have received support from the Soft and Hybrid Nanotechnology Experimental (SHyNE) Resource (NSF ECCS-2025633), and Northwestern University. This work made use of the Keck-II facility of Northwestern University’s NUANCE Center, which has received support from the SHyNE Resource (NSF ECCS-2025633), the IIN, and Northwestern’s MRSEC program (NSF DMR-1720139). Publisher Copyright: © The Royal Society of Chemistry.

PY - 2022/1/14

Y1 - 2022/1/14

N2 - A rare three-dimensional catecholate-based Ce(iii) metal-organic framework (MOF), denoted as NU-1701, has been synthesized and crystallographically characterized. Density functional theory calculations highlight various possible electronic transitions that may present in NU-1701. These transitions are competitive and indicate increased lanthanide character of Ce(iii).

AB - A rare three-dimensional catecholate-based Ce(iii) metal-organic framework (MOF), denoted as NU-1701, has been synthesized and crystallographically characterized. Density functional theory calculations highlight various possible electronic transitions that may present in NU-1701. These transitions are competitive and indicate increased lanthanide character of Ce(iii).

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Electron transitions in a Ce(iii)-catecholate metal-organic framework

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CCDC 2122281: Experimental Crystal Structure Determination

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Electron transitions in a Ce(iii)-catecholate metal-organic framework

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Datasets

CCDC 2122281: Experimental Crystal Structure Determination

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