| Autor: |
Leicht, Daniel, Kaufmann, Matin, Schwaab, Gerhard, Havenith, Martina |
| Předmět: |
|
| Zdroj: |
Journal of Chemical Physics; 2016, Vol. 145 Issue 7, p1-7, 7p, 3 Diagrams, 1 Chart, 2 Graphs |
| Abstrakt: |
Cyclopentadienyl radicals were produced by vacuum flash pyrolysis and trapped in superfluid helium nanodroplets. The infrared spectrum of the embedded radicals was recorded in the range 3020-3120 cm-1. Three bands observed at 3056.3, 3086.9, and 3117.3 cm-1 were assigned to the transitions from the ground state to the three levels of the quadratically Jahn-Teller distorted (i.e., second order Jahn-Teller active) CH stretch vibration with E1 ' symmetry. Accompanying ab initio calculations showed a vibrationally averaged symmetric equilibrium structure in agreement with the observed vibronic transitions. Our results confirm a symmetric configuration of the cyclopentadienyl (cp) radical that is dynamically Jahn-Teller distorted. Density functional theory calculations and infrared data further suggest that barrier-less reactions of two cp radicals occur within the droplets. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
|
