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Physical Sciences and Mathematics Commons™

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Chemistry

Bowling Green State University

Series

1996

Articles 1 - 2 of 2

Full-Text Articles in Physical Sciences and Mathematics

Electronic Spectroscopy Of Jet-Cooled Benzylidenecyclobutane, A Sterically Hindered Styrene, John R. Cable, V. P. Manea Oct 1996

Electronic Spectroscopy Of Jet-Cooled Benzylidenecyclobutane, A Sterically Hindered Styrene, John R. Cable, V. P. Manea

Chemistry Faculty Publications

The electronic spectrum of the styrene derivative, benzylidenecyclobutane, seeded in a supersonic jet expansion has been recorded using resonantly enhanced two-photon ionization spectroscopy. The main vibronic features in the spectrum are associated with a low frequency progression assigned to the torsional motion of the phenyl ring. Analysis of the observed torsional levels reveals an excited state potential energy surface characteristic of a planar equilibrium geometry which undergoes large amplitude motion and a ground state surface having a minimum at a torsional angle of 25° between the phenyl and vinyl groups. Ab initio calculations of the ground state torsional potential surface …

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Photoinduced Electron Transfer Along A Beta-Sheet Mimic, Alexei B. Gretchikhine, Michael Y. Ogawa Feb 1996

Photoinduced Electron Transfer Along A Beta-Sheet Mimic, Alexei B. Gretchikhine, Michael Y. Ogawa

Chemistry Faculty Publications

Electron energy-loss spectroscopy (EELS) is used to determine the energies of low-lying singlet and triplet states of the title compound. The EELS measurements give a splitting of 0.45 eV between the two lowest π f π* singlet states, as confirmed by optical absorption measurements, but do not give a discernable splitting between the corresponding triplet states. The experimental results are interpreted with the aid of ab initio electronic structure calculations using the CIS and CASPT2 methods. The calculations are consistent with the experiments, giving a much larger splitting between the π f π* singlet as compared to the π f …

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