Scmi-cmpnlck~l calculations dre rcportcd for the lowest nn\* and BIT\* clcctromc triplet statcs of berwaldchydc. IIqulhbrmm gcomctrws, spin drpole-dlpolc and spin-orbIt contributions to the 2I.S paramcterr; ns well .IS oscillator strcngthP 1) + SO arc presented and discussed for both states.
Correlation of the zero-field splittings with the n,π* and π,π* triplet levels of benzaldehydes
✍ Scribed by H. Hayashi; S. Nagakura
- Publisher
- Elsevier Science
- Year
- 1973
- Tongue
- English
- Weight
- 380 KB
- Volume
- 18
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
The n, pi* and T, T;* triplet state energies ofp-chlorobcnzaldehyde and p-methosybenzaldehyde were determined in sever4 hosts with the aid of phosphorescence and phosphorescence excitation spectra. A linear reIationship espetted from the theory considering spin-orbit interaction between the closely located n, ;I* and n, Z* triplet states was found to be satisfied. The spin-orbit interaction parameter, I G,lt was found to be 83 cm-' for benzddehydes.
📜 SIMILAR VOLUMES
The phosphorescence of [ Ru (bhq) (CO )sCI (L) ] (L = PEts, p-toluidine and piperidine ) in glassy rigid solution and in crystals are observed. We have further obtained zero-field splittings by the method of optical detection of magnetic resonance. The location of the spectrum, lifetime, and the zer
## 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