Umeå universitets logga

umu.sePublikationer
Ändra sökning
RefereraExporteraLänk till posten
Permanent länk

Direktlänk
Referera
Referensformat
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Annat format
Fler format
Språk
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Annat språk
Fler språk
Utmatningsformat
  • html
  • text
  • asciidoc
  • rtf
Enhanced Rotation by Ground State Destabilization in Amphidynamic Crystals of a Dipolar 2,3-Difluorophenylene Rotator as Established by Solid State 2H NMR and Dielectric Spectroscopy
Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Kemiska institutionen. Department of Chemistry and Biochemistry, University of California, Los Angeles, USA.
Visa övriga samt affilieringar
2020 (Engelska)Ingår i: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 124, nr 28, s. 15391-15398Artikel i tidskrift (Refereegranskat) Published
Abstract [en]

We report the synthesis and rotational dynamics of the pillared metal–organic framework Zn2(F2BDC)2(DABCO) where F2BDC = 2,3-difluorobenzene-1,4-dicarboxylate acts as a rotating dipolar linker and DABCO = 1,4-diazabicyclo[2.2.2]octane acts as a spacer (F2MOF 1). The pillared structure of F2MOF 1 was confirmed by X-ray diffraction and CP-MAS 13C NMR analyses. Using variable temperature solid state 2H NMR and broadband dielectric spectroscopy, we characterized the rotational dynamics of the dipolar F2BDC linker in the solid state. Variable temperature (VT) quadrupolar echo 2H NMR measurements revealed a rotational activation energy of Ea = 6.8 ± 0.1 kcal/mol, which agreed well with temperature- and frequency-dependent dielectric measurements, indicating a barrier of Ea = 7.1 ± 0.5 kcal/mol. Structural data from single crystal X-ray diffraction and quantum mechanical calculations (DFT) suggest that the rotational potential is determined by steric interactions between the dipolar rotator and the stator linkers such that fluorine atoms in the F2BDC linker reduce the activation energy by destabilization of the coplanar BDC ground state.

Ort, förlag, år, upplaga, sidor
American Chemical Society (ACS), 2020. Vol. 124, nr 28, s. 15391-15398
Nationell ämneskategori
Fysikalisk kemi
Identifikatorer
URN: urn:nbn:se:umu:diva-173904DOI: 10.1021/acs.jpcc.0c05314ISI: 000551543800047Scopus ID: 2-s2.0-85089284396OAI: oai:DiVA.org:umu-173904DiVA, id: diva2:1456880
Tillgänglig från: 2020-08-07 Skapad: 2020-08-07 Senast uppdaterad: 2023-03-24Bibliografiskt granskad

Open Access i DiVA

Fulltext saknas i DiVA

Övriga länkar

Förlagets fulltextScopus

Person

Huynh, Chau Minh

Sök vidare i DiVA

Av författaren/redaktören
Huynh, Chau Minh
Av organisationen
Kemiska institutionen
I samma tidskrift
The Journal of Physical Chemistry C
Fysikalisk kemi

Sök vidare utanför DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetricpoäng

doi
urn-nbn
Totalt: 152 träffar
RefereraExporteraLänk till posten
Permanent länk

Direktlänk
Referera
Referensformat
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Annat format
Fler format
Språk
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Annat språk
Fler språk
Utmatningsformat
  • html
  • text
  • asciidoc
  • rtf