## Tire assignment of tbc vacuum uitrevioiet transitions in formaldehyde below 1500 A is reexamined. Rydbeg series involvin: transitions from the nonbonding n orbital to s, p,,, pr, d and f orbinds are assigned in the spectrum\_ The fust ioniaation potentials in HlCO and DsCO are reevaluated from
Rydberg character of the higher excited states of free-base porphin
β Scribed by Shigeyoshi Yamamoto; Hiroshi Tatewaki; Osamu Kitao; Geerd H.F. Diercksen
- Publisher
- Springer
- Year
- 2001
- Tongue
- English
- Weight
- 182 KB
- Volume
- 106
- Category
- Article
- ISSN
- 1432-2234
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Rcccrvcd 9 rcbruary 1982 Cncrgy-rcsolvcd rnd rlmc-rcsolvcd I;lscr spcc~roscopy of free-base porphm scedcd m pulsed supcrsomc uvpans~ons of He promdc lnformatlon on the clcctronic-v]brauonJ level structure and on mterstatc clcctronic rclJu.nlon of IID Q, and Q,, stpLes.
The SAC (symmetry adapted clusteO/SAC-C! method is applied to calculations of the ground and excited states of free base tetrazaporphin (FBTAP). The electronic spectrum is reproduced in fairly good agreement with experiments, and unknown absorption bands in the energy region higher than 4 eV are pre