The vertical and adiabatic excitation energies between the ground and lowest two triplet states of acrolein were studied using ab initio correlated wavefunctions. A double zeta basis set was used in the configuration interaction calculations and each configuration expansion included about 6000 deter
Experimental determination of the 3π,π* energy level of benzophenone
✍ Scribed by J.M. Morris; D.F. Williams
- Publisher
- Elsevier Science
- Year
- 1974
- Tongue
- English
- Weight
- 263 KB
- Volume
- 25
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
A weak fluorescence was observed from benzophenone at 25650 cm+ with a quantum yield of ==lO-' at 5°K. With the assumption that * n,r* -3 n,r* intersystem crossing is more efficient than r n,~* + 3 n,~*, the temperature dependence of the quantum yield sets the 3n,n* level <, 50 cm-' above the 'n,~* level: 3E, rr = 26670 cm-' _
📜 SIMILAR VOLUMES
The O-O band maGmum of the transition T3(n, r\*) .-T1 (n, n\*) of acridine occurs at = 10200 + 20 cm-' in inert (nhcxme. benzene. Ccl& at 10220 2 20 cm -I in polar (acetonitrile) and St 10170 i 50 cm-1 in hydrogen-bonding, (methanol, 2propanol and alkaline lvater) solsents. Based on the solvent-inde