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Time-resolved resonance Raman spectroscopic studies on the triplet excited state of fluoranil

Balakrishnan, Gurusamy and Umapathy, Siva (1997) Time-resolved resonance Raman spectroscopic studies on the triplet excited state of fluoranil. In: Faraday Transactions, 93 (23). pp. 4125-4130.

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Perfluoro substituted organic compounds have attracted attention owing to their unique structure and reactivity induced by the perfluoro effect. Fluoranil, a perfluoro derivative of p-benzoquinone, is the subject of this paper. Although the perfluoro effect in the ground state seems to have been well understood there is no information available about such effects on the excited state. Here, the time-resolved resonance Raman spectra of the triplet excited state of fluoranil are reported along with the Raman excitation profiles (REPs) of the various vibrational modes. The vibrational spectral analyses have been carried out by analogy with the fluoranil ground state, triplet benzoquinone, and triplet chloranil vibrational spectral assignments. Also, the assignments are further supported by the calculated frequencies using ab initio theoretical methods. It is observed that for fluoranil in the triplet excited state, due to the perfluoro effect, the structure is considerably less distorted than benzoquinone and also the electron delocalization in the pi* antibonding orbital is less than that of triplet excited state of benzoquinone.

Item Type: Journal Article
Publication: Faraday Transactions
Publisher: Royal Society of Chemistry
Additional Information: Copyright of this article belongs to Royal Society of Chemistry.
Department/Centre: Division of Chemical Sciences > Inorganic & Physical Chemistry
Date Deposited: 22 Jun 2011 05:43
Last Modified: 22 Jun 2011 05:43
URI: http://eprints.iisc.ac.in/id/eprint/38550

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