title: Designing the ideal uranyl ligand: a sterically induced speciation change in complexes with thiophene-bridged bis(3-hydroxy-n-methylpyridin-2-one).
abstract: Structural characterization of a mononuclear uranyl complex with a tetradentate, thiophene-linked bis(3-hydroxy-N-methylpyridin-2-one) ligand reveals the most planar coordination geometry yet observed with this ligand class. The introduction of ethylsulfanyl groups onto the thiophene linker disrupts this planar, conjugated ligand arrangement, resulting in the formation of dimeric (UO(2))(2)L(2) species in which each ligand spans two uranyl centers. Relative energy calculations reveal that this tendency toward dimer formation is the result of steric interference between ethylsulfanyl substitutents and linking amides.
authors.affiliation: Chemical Science Division, Glenn T. Seaborg Center, Lawrence Berkeley National Laboratory (LBNL), Berkeley, California 94720, USA.
authors.forename: Géza
authors.initials: G
authors.lastname: Szigethy
authors.forename: Kenneth N
authors.initials: KN
authors.lastname: Raymond
mesh_terms: D018360:Crystallography, X-Ray; D008024:Ligands; D008958:Models, Molecular; D009942:Organometallic Compounds / Q000138:chemical synthesis* / Q000737:chemistry; D011728:Pyridones / Q000737:chemistry*; D013876:Thiophenes / Q000737:chemistry*; D014501:Uranium / Q000737:chemistry*
chemical_list: D008024:Ligands; D009942:Organometallic Compounds; D011728:Pyridones; D013876:Thiophenes; C546862:bis(3-hydroxy-n-methylpyridin-2-one); D014501:Uranium