Abstract
Cyclopentadienyltrimethylenemethane has low-lying singlet and triplet states of A 1 and B 2 symmetry. The geometries of these states have been optimized by means of the ROHF, UHF, and MCSCF methods. The two lowest energy states-the 3 B 2 ground state and the 1 A 1 state, lying 4.9 kcal/mol above the ground state-are predicted to be planar. The higher-lying 3 A 1 and 1 B 2 states are found to have nonplanar structures
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
