## Abstract The crystal field splitting and __g__ values in SrF~2~:Tm^2+^ were calculated within the framework of the (TmF~8~)^6−^ cluster using the Heitler‐London method. Two sorts of numerical Hartree‐Fock functions for Tm^2+^ electrons were used in the calculations. It is shown, that a better ag
A new interpretation of the electronic spectrum of ethylene from 6–8 eV
✍ Scribed by Jae-seok Ryu; Bruce S. Hudson
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 536 KB
- Volume
- 245
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
The traditional assignment of the electronic spectrum of ethylene in terms of a ~r-'rr * N-V excitation and an overlapping "tr-3s Rydberg excitation is shown to be widely inconsistent with the oscillator strengths calculated for these transitions. A spectral intensity calculation based on intersecting N-V (B tu) and 'n'-3py (Blg) surfaces, as proposed by Petrongolo et al., is shown to result in a vibronic spectrum in reasonably good agreement with experiment. This revised assignment provides much better overall agreement between theory and experiment than the traditional assignment for which, it is argued, there is no convincing evidence.
📜 SIMILAR VOLUMES
Potential sufaces for CC 'stretch artd Cl32 twisting of ethylene obtained by the ambined SC2 CL method lead to the prediction that non-vertical transitions are tesponsiiIe fcr the absorptik rraximum in the V-N bands and that the broad diffuse nature of the spectrum in this region coukl well be cause