Matrix-isolation study of the vacuum-ultraviolet photolysis of NF3: The electronic spectrum of the NF2 free radical
β Scribed by Marilyn E. Jacox; Dolphus E. Milligan; William A. Guillory; Jerry J. Smith
- Publisher
- Elsevier Science
- Year
- 1974
- Tongue
- English
- Weight
- 389 KB
- Volume
- 52
- Category
- Article
- ISSN
- 0022-2852
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π SIMILAR VOLUMES
Addition of Oz(iAg) to the reacting mixture of NHs and F atoms,is found to produce the NF(b 'X3 radicals, identified by the light emission at 529 and 562 nm. The energy transfer process Oz('Ag) + NF(a 'A& + 02 + NF(b IX+) explains the light emission.
Ab initio electronic structure calculations are reported for 18 electronic states of the PO 2 radical. Geometric parameters for the X 2A x ground state are calculated at the MRD-CI level with a triple-zeta basis set plus two polarization d functions, as well as Rydberg functions. The vertical excita
## Multireference configuration-interaction calculations (MRD-CI) are carried out to obtain a theoretical prediction of the electronic spectrum of the fluoroformyl radical FCO up to energies of approximately 12 eV, including Rydberg s and p states. Furthermore, an estimation of the oscillator stre