title: Mechanisms of stereomutation and thermolysis of spiro-1,2-oxaphosphetanes: new insights into the second step of the Wittig reaction.
abstract: The experimentally observed stereomutation of spiro-1,2-oxaphosphetanes is shown by DFT calculations to proceed through successive M(B2) or M(B4) and M(B3) mechanisms involving two, four, and three Berry pseudorotations at phosphorus, respectively. Oxaphosphetane decomposition takes place in a single step via a polar transition state. The calculated activation parameters for this reaction are in good agreement with those determined experimentally.
authors.affiliation: Área de Química Orgánica,  Universidad de Almería , 04120 Almería, Spain.
authors.forename: Jesús
authors.initials: J
authors.lastname: García López
authors.forename: Antonio
authors.initials: A
authors.lastname: Morán Ramallal
authors.forename: Javier
authors.initials: J
authors.lastname: González
authors.forename: Laura
authors.initials: L
authors.lastname: Roces
authors.forename: Santiago
authors.initials: S
authors.lastname: García-Granda
authors.forename: María José
authors.initials: MJ
authors.lastname: Iglesias
authors.forename: Pascual
authors.initials: P
authors.lastname: Oña-Burgos
authors.forename: Fernando
authors.initials: F
authors.lastname: López Ortiz