title: Characterization of a kinetically stable, highly ordered, octameric form of lithium tert-butoxide and its implications regarding aggregate formation.
abstract: The controlled reaction of molecular oxygen with hydrocarbon solutions of tBuLi results in the unexpected formation of the octameric species [(tBuOLi)8], 18. Single-crystal X-ray diffraction studies indicate that the connectivity within 18 corresponds with the fusion of two face-opened tetrameric cubanes. Cryoscopic studies establish the stability of the octamer in benzene solution, but heating results in aggregate rearrangement to the commonly found prismatic hexameric form, 16. Theoretical calculations confirm that the hexameric form is the thermodynamically favored aggregate.
authors.affiliation: Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, USA.
authors.forename: John F
authors.initials: JF
authors.lastname: Allan
authors.forename: Roger
authors.initials: R
authors.lastname: Nassar
authors.forename: Elizabeth
authors.initials: E
authors.lastname: Specht
authors.forename: Alicia
authors.initials: A
authors.lastname: Beatty
authors.forename: Nathalie
authors.initials: N
authors.lastname: Calin
authors.forename: Kenneth W
authors.initials: KW
authors.lastname: Henderson