On the spin-forbiddeness of gas-phase ion-molecule reactions: a fruitful intersection of experimental and computational studies
Abstract
The effects of spin changes on the efficiencies and product distributions of gas-phase ion-molecule reactions are analyzed, and the examples discussed include metal- as well as non-metal containing systems, with some emphasis on various types of bond activation by [`]naked' transition-metal cations and structurally simple cationic transition-metal oxides. Whenever possible, comparison of the experimental findings with computational studies will be made, and the agreement is generally good if not excellent.
- Publication:
-
International Journal of Mass Spectrometry
- Pub Date:
- September 2004
- DOI:
- Bibcode:
- 2004IJMSp.237...75S
- Keywords:
-
- Bond activation;
- Computational chemistry;
- Ion-molecule reactions;
- Mass spectrometry;
- Molecular orbital symmetry;
- Spin-orbit coupling;
- Oxidation chemistry;
- Potential energy surfaces;
- Transition-metal chemistry