Journal
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 13, Issue 20, Pages 9818-9823Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c1cp20307j
Keywords
-
Funding
- Deutsche Forschungsgemeinschaft (DFG) through Center for Functional Nanostructures (CFN) [C3.3]
- Ministry of Science, Research and the Arts of Baden-Wurttemberg [Az: 7713.14-300]
- Deutsche Forschungsgemeinschaft [CFN C3.2]
- Helmholtz Association
- NSFC
Ask authors/readers for more resources
The gas-phase unimolecular decay kinetics of an anionic, open-cage [ 60] fullerene derivative encapsulating one water molecule is studied by means of black-body IR radiation induced dissociation (BIRD) in the temperature programmable ion trap of a Fourier-transform ion cyclotron resonance (FT-ICR) mass spectrometer. The primary reaction channel observed is escape of the water molecule from the fullerenoid bowl. The rate constants for this water loss as a function of temperature are evaluated using the Arrhenius equation to yield an activation energy of 104 perpendicular to 4 kJ mol(-1). A complementary ion mobility spectrometry study contrasting the water-encapsulated and the empty fullerene cages finds identical collision cross sections to within experimental error-supporting the structural assignment of this gas-phase anion as an endohedral (i.e. encapsulated) species. Both experiments were compared with quantum-chemical computations which well-describe the transition state for water desorption and the concomitant binding and activation energies.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available