The triplet spin sublevel origins of the bands in the phosphorescke of pyrazine in a paradioxane host are assigned using phosphorescence-microwave double resonance techniques. The assignments cannot be interpreted in terms of a Dzh structure for the molecule in the triplet state, and indicate a trip
Geometry of ammonia molecule in the lowest triplet state estimated theoretically
✍ Scribed by Danuta Jeziorek; Bronislaw Żurawski
- Book ID
- 104579586
- Publisher
- John Wiley and Sons
- Year
- 1979
- Tongue
- English
- Weight
- 176 KB
- Volume
- 16
- Category
- Article
- ISSN
- 0020-7608
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✦ Synopsis
Abstract
The geometrical parameters of the ammonia molecule in the lowest‐lying triplet state have been estimated by means of the SCF method and by making an extrapolation to take into account electron correlation effects. The planar configuration has been obtained as the most probable geometrical arrangement (^3^ A~2~″).
📜 SIMILAR VOLUMES
CAS-SCF/MRCI calculations have been performed for 11 molecular states in the representation 2Sþ1 K ðþÞ (neglecting spin-orbit effects) for the molecule LaI. The corresponding 25 molecular states in the representation X ðþ=ÀÞ (including spin-orbit effects) have been calculated using a semi-empirical