The jet-cooled S-0 -> S-1 excitation spectrum of 1,6-epoxy-[10]annulene

Year: 2000

Authors: Giugni A., Eramo R., Cavalieri S., Pietraperzia G., Becucci M., Gellini C., Moroni L., Salvi P. R.

Autors Affiliation: Europ. Lab. for Non-Lin. Spectrosc., Largo E. Fermi 2, 50125 Firenze, Italy; Dipartimento di Chimica, Lab. Spettrosc. Mol., Univ. Firenze, via G. Capponi 9, 50121 Firenze, Italy; Ist. Naz. di Fisica Della Materia, Unità dell

Abstract: The excitation spectrum of 1,6-epoxy-[10]annulene in the region of the lowest electronic transition (approximate to 417-390 nm) has been measured under supersonic expansion conditions. The observed vibronic structure, with onset at 24 008 cm(-1), is discussed mostly in terms of allowed transitions. Comparison with MCSCF/CAS calculations of vibrational frequencies in S-0 and S-1 allows the assignment of several excited state fundamentals and correlation with ground state modes. Both the experimental and theoretical results point to the conclusion that equilibrium geometry changes upon excitation, with the C-1 and C-6 atoms of the molecular ring, connected by the epoxy bridge, moving slightly apart going from S-0 to S-1. (C) 2000 Elsevier Science B.V. All rights reserved.

Journal/Review: CHEMICAL PHYSICS LETTERS

Volume: 330 (3-4)      Pages from: 315  to: 324

More Information: This work was supported by the Italian Consiglio Nazionale delle Ricerche (CNR), by the Ministero dell\’Università e della Ricerca Scientifica e Tecnologica (MURST) and by the E.C. under the Contracts CHRX-CT-0561, ERBFMBICT961046, ERBCHRXCT930105 and ERBFMGECT950017. The authors wish to thank CINECA (Bologna, Italy) for providing an allocation of computer time.
KeyWords: High-resolution spectroscoy; Der-waals complexes; Absorption-spectra; Vibrational-energy; Dynamics; Fluorescence; Relaxation; Profiles; Naphthalene
DOI: 10.1016/S0009-2614(00)01120-9

Citations: 3
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