title: First X-ray crystal structure and internal reference diffusion-ordered NMR spectroscopy study of the prototypical Posner reagent, MeCu(SPh)Li(THF)3.
abstract: Grow slow: The usual direct treatment of MeLi and CuSPh did not yield X-ray quality crystals of MeCu(SPh)Li. An indirect method starting from Me2CuLi⋅LiSPh and chalcone afforded the desired crystals by the slow reaction of the intermediate π-complex (see scheme). This strategy produced the first X-ray crystal structure of a Posner cuprate. A complementary NMR study showed that the contact ion pair was also the main species in solution.
authors.affiliation: Department of Chemistry, University of North Carolina-Charlotte, Charlotte, NC 28223, USA. sbertz1@uncc.edu
authors.forename: Steven H
authors.initials: SH
authors.lastname: Bertz
authors.forename: Richard A
authors.initials: RA
authors.lastname: Hardin
authors.forename: Thomas J
authors.initials: TJ
authors.lastname: Heavey
authors.forename: Daniel S
authors.initials: DS
authors.lastname: Jones
authors.forename: T Blake
authors.initials: TB
authors.lastname: Monroe
authors.forename: Michael D
authors.initials: MD
authors.lastname: Murphy
authors.forename: Craig A
authors.initials: CA
authors.lastname: Ogle
authors.forename: Tara N
authors.initials: TN
authors.lastname: Whaley
keywords: NMR spectroscopy; S ligands; X-ray diffraction; aggregation; cuprates