Conformational property of carvone as studied by laser-jet spectroscopy and theoretical calculations

The (1C1) resonance enhanced multiphoton ionization (REMPI) spectrum of carvone was measured in the supersonic free jet. In the low vibrational energy region, transitions arising from the internal rotation of isopropenyl group that causes the conformational variation were observed. With the aid of the MP2 and CIS calculations, the peak positions were assigned and it was found that this compound has three stable conformers in the S0 electronic state. q 2004 Elsevier B.V. All rights reserved