Non-planarity of the 1A2 and 3A2 states of formaldehyde
โ Scribed by Tae-Kyu Ha
- Publisher
- Elsevier Science
- Year
- 1974
- Tongue
- English
- Weight
- 243 KB
- Volume
- 21
- Category
- Article
- ISSN
- 0022-2860
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A new method based on scaled ab uutio force fields is mtroduced for c$culatrng evcttedstate viiratronal frequencies. Apphcatron to formaldehyde confirms the need to revrse the value of vg (A, HzCO), but not the value of va(z DaCO). Lasers have revolutiomzed electronic spectroscopy and photochemistr
There have been several papers published recently which differ significantly on the energy and nature of the 1 A, T-W.\* state of formaldehyde. Buenker and Peyerimhoff [l] using a basis set without diffuse orbitals obtained an.excitation ener,g of 11.72 eV. In this calculation the T-W\_\* state appe