Control of isomerizations by series of ultrafast infrared laser pulses. Model simulations for semibullvalenes

✍ Scribed by J.E. Combariza; S. Görtler; B. Just; J. Manz

• Publisher: Elsevier Science
• Year: 1992
• Tongue: English
• Weight: 656 KB
• Volume: 195
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(92)85623-i

✦ Synopsis

Model simulations of laserdriven Cope rearrangements of non-degenerate semibullvalene isotopomers are carried out by fast Fourier transform propagations of representative wavepackets. High selectivities for the isomerization reactions, with reaction probabilities > 80% for specific isotopomers, are achieved by series of picosecond IR laser pulses with analytical (Gaussian) shapes. The laser-induced reaction proceeds in a shallow double-well potential representing the electronic ground state, from the vibrational ground state of the reactant isomer via a delocalized state with energy close to the potential barrier towards a vibrationally excited product state.