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
A new spectrum of the PO2 radical
β Scribed by Verma, R. D.; McCarthy, Charles F.
- Book ID
- 111871612
- Publisher
- NRC Research Press
- Year
- 1983
- Tongue
- English
- Weight
- 415 KB
- Volume
- 61
- Category
- Article
- ISSN
- 0008-4204
- DOI
- 10.1139/p83-145
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π SIMILAR VOLUMES
The infrared laser absorption spectrum of the PO 2 free radical has been detected in the reaction of oxygen atoms with white phosphorus. Over 300 lines of the u 3 fundamental band of the 2A 1 ground state have been measured and assigned between 1300 and 1345 cm-1. Rotational, centrifugal distortion
An ESR study of @radiated sin\_rle c.rystals of cyanoacotyl hydrazide indicates that the free radical formed is the corresponding hydrazyl (NCCH,CONNH,), in which a large fraction of UIC unpaired spin density is located on the a-nitiogcn atom. Stable triaryl substituted hydrazyl free radicals R, -N