title: Triplet versus singlet photoreaction mechanism in the barrelene di-pi-methane rearrangement.
abstract: A detailed study of the potential energy surfaces involved in the di-pi-methane rearrangement (singlet and triplet states) reveals the factors that modulate the mechanisms (pathways) and reactivity in strained di-pi-methane systems such as bicyclo[2.2.2]octa-2,5,7-triene (barrelene). [structure: see text]
authors.affiliation: Departamento de Química Física, Universidad de Alcalá, 28871 Alcalá de Henares, Madrid, Spain. luisma.frutos@auh.es
authors.forename: Luis M
authors.initials: LM
authors.lastname: Frutos
authors.forename: Unai
authors.initials: U
authors.lastname: Sancho
authors.forename: Obis
authors.initials: O
authors.lastname: Castaño
mesh_terms: D055592:Biophysical Phenomena; D001703:Biophysics; D001643:Bridged Bicyclo Compounds / Q000737:chemistry*; D008697:Methane / Q000737:chemistry*; D015394:Molecular Structure; D010777:Photochemistry; D013816:Thermodynamics
chemical_list: D001643:Bridged Bicyclo Compounds; D008697:Methane