Binding CO2 by a Cr8 Metallacrown.

Iñigo J Vitorica-Yrezabal Daniel Florin SavaGrigore A TimcoMartyn S BrownMathew SavageHarry G W GodfreyFlorian MoreauMartin SchröderFlor SipersteinLee BrammerSihai YangMartin P Attfield Joseph J W McDouall Richard E P Winpenny

Published in: Angewandte Chemie (International ed. in English) (2017)

The {Cr8 } metallacrown [CrF(O2 Ct Bu)2 ]8 , containing a F-lined internal cavity, shows high selectivity for CO2 over N2 . DFT calculations and absorption studies support the multiple binding of F-groups to the C-center of CO2 (C⋅⋅⋅F 3.190(9)-3.389(9) Å), as confirmed by single-crystal X-ray diffraction.

Keyphrases

dual energy
density functional theory
computed tomography
dna binding
molecular dynamics
high resolution
crystal structure
image quality
electron microscopy
binding protein
molecular dynamics simulations
contrast enhanced
magnetic resonance imaging
magnetic resonance
mass spectrometry
transcription factor