title: Active conformation in amine-thiourea bifunctional organocatalysis preformed by catalyst aggregation.
abstract: Self-activation: Takemoto's catalyst gains access to its active conformation by equilibrating between its hydrogen-bonded intra- and intermolecular interactions in apolar aprotic solvents. By destabilization of the inactive monomeric conformations, the extended anti-anti thiourea conformation is preformed in the assembly. On leaving the assembly, this transient conformation has a structural preference to become a catalytically active monomeric species that has the potency for dual activation (see scheme).
authors.affiliation: Department of NMR Spectroscopy, Institute of Structural Chemistry, Hungarian Academy of Sciences, Pusztaszeri út 59-67, Budapest, 1025, Hungary. gtarkanyi@chemres.hu
authors.forename: Gábor
authors.initials: G
authors.lastname: Tárkányi
authors.forename: Péter
authors.initials: P
authors.lastname: Király
authors.forename: Tibor
authors.initials: T
authors.lastname: Soós
authors.forename: Szilárd
authors.initials: S
authors.lastname: Varga
mesh_terms: D000588:Amines / Q000737:chemistry*; D002384:Catalysis; D006860:Hydrogen Bonding; D009682:Magnetic Resonance Spectroscopy; D008968:Molecular Conformation; D015394:Molecular Structure; D013237:Stereoisomerism; D013890:Thiourea / Q000737:chemistry*
chemical_list: D000588:Amines; D013890:Thiourea