Ab initio calculations for the excited states of the positive ions of naphthalene, anthracene and phenanthrene have been carried out to elucidate their absorption spectra in the UV-VIS range (200-1000 nm). With restricted open-shel! Hartree-Fock one-particle basis functions employing double-~" or tr
Anisotropy of the T-T absorption spectra of naphthalene and phenanthrene
✍ Scribed by H.-G. Kuball; W. Euing
- Publisher
- Elsevier Science
- Year
- 1975
- Tongue
- English
- Weight
- 626 KB
- Volume
- 30
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
T&e naphthalene absorption in the spectrai legion of 3Sk-4100 BL consists oE two ~~~e,ndic~~~y polarized band systerns. This can be shown by polarization measurements. The arguments given do not atlow a. decision as to whether or not the short axis polarized band is the 3AS + 3BTu transition OI an induced vibronic band of the 3BFg +-3BtU transition gen-'erated by a bag vibration mode. The T-T polruization of phenan~ene as a function of the excitition wavenumber is quantitatively compared with the equivalent S L + So fluorescence polariw tion. There' is a good agreement betweea the calculated tid the masured curve.
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