Theoretical assignments of the electronic states of the π-radical cation of ethylene
✍ Scribed by W.R. Rodwell; M.F. Guest; D.T. Clark; D. Shuttleworth
- Publisher
- Elsevier Science
- Year
- 1977
- Tongue
- English
- Weight
- 520 KB
- Volume
- 45
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Highly correlated MRCI wavefunctions have been used to calculate the symmetry ordering of the doublet and quartet states in the Franck-Condon region of the photoelectron spectrum of ozone. In addition, parts of the potential energy functions of the four lowest doublet states of 0; have been mapped b
## Abstract HeIα excited photoelectron spectra of pentatetraene and the inferred ionization energies are reported. The first band has a characteristic __Franck__‐__Condon__ envelope similar to the first photoelectron bands of allene and butatriene. The four bands found below 16 eV ionization energy
It is shown that the excited singlet ($8 o --) state (v) of planar ethylene in both the Llarkee-Fdck zn& z-electron configuration interaction descriptions is quite diffuse. The extent of the F-orbital in the ii-direction as measured by (22) is 42 a$ in the V state as compared to 2.7 a; in the corres
Estcnsi~ con~~ur3tion interaction calculations (lOO0 to 1500 detemlina~ts) have been carried out for the six Iow-lying valence states of carbon dioxide in order to provide reliable assignments for the transitions to these. state% In addition, Hartree-Fock calcui~t~#ns were performed on the lowest fi