The excircd singlet (n r;\*) state of planar ethylene is calculated in ;I CT0 basis set by a second-order perturbation method. It is shown that the transition energy is nearly independent of the Rydberg character of the x\* orbital and therefore electron correlation is introdnced.
Hybrid character and rotational structure of the π∗←π transitions of thionaphthene and benzofuran
✍ Scribed by Allen Hartford Jr.; Alan R. Muirhead; John R. Lombardi
- Publisher
- Elsevier Science
- Year
- 1970
- Tongue
- English
- Weight
- 882 KB
- Volume
- 35
- Category
- Article
- ISSN
- 0022-2852
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
It has been observed that electronically excited states of molecules occasionally have a different amount of Rydberg character even though they arise from the same electronic configuration. Recent examples are CO\* and CaHa. We try to explain this fact with the aid of a consideration due to Merer an
## Abstract VE‐PPP, CNDO/2, and CNDO/s‐CI methods have been used to investigate the electronic spectrum and structure of benzaldehyde. Electronic charge distributions and bond orders in the ground and lowest excited singlet π\* ← π and π\* ← __n__ states of the molecule have been studied. The molec