Repository logo

Infoscience

  • English
  • French
Log In
Logo EPFL, École polytechnique fédérale de Lausanne

Infoscience

  • English
  • French
Log In
  1. Home
  2. Academic and Research Output
  3. Journal articles
  4. EPR on aqueous Gd3+ complexes and a new analysis method considering both line widths and shifts
 
Loading...
Thumbnail Image
research article

EPR on aqueous Gd3+ complexes and a new analysis method considering both line widths and shifts

Borel, Alain  
•
Toth, Eva
•
Helm, Lothar  
Show more
2000
Physical Chemistry Chemical Physics

We performed variable temperature (0–100°C), concentration and frequency (9.425, 75, 150 and 225 GHz) continuous wave electron paramagnetic resonance (EPR) measurements on three different Gd(III) compounds: [Gd(H2O)8]3+, [Gd(DOTA)(H2O)]− (DOTA: 1,4,7,10-tetrakis(carboxymethyl)-1,4,7,10-tetraazacyclododecane) and [Gd(DTPA-BMA)(H2O)] (DTPA-BMA: 1,5-[bis(N-methylcarbamoyl)methyl]-1,3,5-tris(carboxymethyl)-1,5-diamino-3-azapentane) in aqueous solution. A simultaneous analysis of peak-to-peak widths and dynamic frequency shifts provides access to the transverse electronic relaxation, which is described using a transient zero field splitting (ZFS) mechanism with a spin rotation contribution. Our simultaneous analysis procedure involves numerical calculations using the full relaxation matrix and yields results in acceptable agreement with experimental data for reasonable values of the ZFS parameters (trace of the square of the ZFS Hamiltonian Δ2=1019–1020 s−2 depending on the complex, correlation time of the fluctuations τv298=10−11–10−10 s). We also discuss the relationship between our approach and recent developments found in the literature.

  • Files
  • Details
  • Metrics
Logo EPFL, École polytechnique fédérale de Lausanne
  • Contact
  • infoscience@epfl.ch

  • Follow us on Facebook
  • Follow us on Instagram
  • Follow us on LinkedIn
  • Follow us on X
  • Follow us on Youtube
AccessibilityLegal noticePrivacy policyCookie settingsEnd User AgreementGet helpFeedback

Infoscience is a service managed and provided by the Library and IT Services of EPFL. © EPFL, tous droits réservés