Evidence for molecular distortion involving the ...



Title Evidence for molecular distortion involving the carbonyl group in triplet states of carbonyl derivatives of naphthalene obtained from time resolved vibrational spectroscopic studies
Author(s) M. J. Vanderburgt, A. H. Huizer, C. A. G. O. Varma, Brian D. Wagner, J. Lusztyk
Journal Chemical Physics
Date 1995
Volume 196
Issue 1-2
Start page 193
End page 210
Abstract The C=O stretching vibration appears in the infrared spectra of 2-naphthaldehyde (1), 2-acetonaphthone (2), 2-naphthoic acid (3), methyl 2-naphthoate (4) and 1,2-dihydro-3H-benz[e]inden-3-one (5) in the state T-1(pi pi*) between 1600 and 1700 cm(-1). There is a strong line in the Raman spectrum of 1-5 in the state S-0 arising from the C=O stretching mode, but such a line is lacking in their resonance Raman spectra when they are in the state T-1. This is attributed to a large amplitude out-of-plane twist of the C=O group in 1-4 and to a pyramidalization of the C atom in the C=O group of 5 in the equilibrium geometry of the state T-1.

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