Nanosecond time-resolved resonance Raman spectroscopic and ab initio MO investigation of substituent effects on the triplet states of bromonaphthalenes
✍ Scribed by Duohai Pan; Lian C. T. Shoute; David Lee Phillips
- Publisher
- John Wiley and Sons
- Year
- 2000
- Tongue
- English
- Weight
- 98 KB
- Volume
- 31
- Category
- Article
- ISSN
- 0377-0486
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✦ Synopsis
Nanosecond time-resolved resonance Raman spectra of the T 1 states and Raman spectra of the S 0 states of 1bromonaphthalene and 1,4-dibromonaphthalene were measured. Ab initio calculations were also performed to determine the optimized geometries and vibrational spectra for the S 0 and T 1 states of 1-bromonaphthalene and 1,4-dibromonaphthalene were predicted. The results were compared with those previously found for 2-bromonaphthalene and it was found that the Br atom substitution position and number both affect the changes in the C-Br bond in the T 1 and T n states. The intensities of the time-resolved resonance Raman spectra indicate that the C-Br bond changes its structure much more in the T n state relative to the T 1 state of 2-bromonaphthalene than 1-bromonaphthalene or 1,4-dibromonaphthalene. Possible implications of these substitution position effects on the 'reluctant' bond cleavage processes occurring from the T n states of bromonaphthalenes are discussed.