title: Fluoride Anion Recognition by a Multifunctional Urea Derivative: An Experimental and Theoretical Study.
abstract: In this work we demonstrate the ability of a multifaceted N,N'-disubstituted urea to selectively recognize fluoride anion (F(-)) among other halides. This additional function is now added to its already reported organocatalytic and organogelator properties. The signaling mechanism relies on the formation of a charge-transfer (CT) complex between the urea-based sensor and F¯ in the ground state with a high association constant as demonstrated by absorption and fluorescence spectroscopy. The nature of the hydrogen bonding interaction between the sensor and F¯ was established by ¹H-NMR studies and theoretical calculations. Moreover, the recovery of the sensor was achieved by addition of methanol.
authors.affiliation: Institut für Organische Chemie, Universität Regensburg, Universitätsstr. 31, Regensburg 93053, Germany. Jana.Schiller@chemie.uni-regensburg.de.
authors.forename: Jana
authors.initials: J
authors.lastname: Schiller
authors.affiliation: Institut für Organische Chemie, Universität Regensburg, Universitätsstr. 31, Regensburg 93053, Germany. raul.perez-ruiz@ur.de.
authors.forename: Raúl
authors.initials: R
authors.lastname: Pérez-Ruiz
authors.affiliation: Departamento de Química, Universidad de La Rioja, Madre de Dios, 51, Logroño 26006, Spain. diego.sampedro@unirioja.es.
authors.forename: Diego
authors.initials: D
authors.lastname: Sampedro
authors.affiliation: Laboratorio de Organocatálisis Asimétrica, Departamento de Química Orgánica, Instituto de Síntesis Química y Catálisis Homogénea (ISQCH), CSIC-Universidad de Zaragoza, Pedro Cerbuna 12, Zaragoza 50009, Spain. mmaamarq@unizar.es.
authors.forename: Eugenia
authors.initials: E
authors.lastname: Marqués-López
authors.affiliation: Laboratorio de Organocatálisis Asimétrica, Departamento de Química Orgánica, Instituto de Síntesis Química y Catálisis Homogénea (ISQCH), CSIC-Universidad de Zaragoza, Pedro Cerbuna 12, Zaragoza 50009, Spain. raquelph@unizar.es.
authors.forename: Raquel P
authors.initials: RP
authors.lastname: Herrera
authors.affiliation: Institut für Organische Chemie, Universität Regensburg, Universitätsstr. 31, Regensburg 93053, Germany. david.diaz@chemie.uni-regensburg.de.|Instituto de Química Avanzada de Cataluña-Consejo Superior de Investigaciones Científicas (IQAC-CSIC), Jordi Girona 18-26, Barcelona 08034, Spain. david.diaz@chemie.uni-regensburg.de.
authors.forename: David
authors.initials: D
authors.lastname: Díaz Díaz
keywords: N,N′-disubstituted urea; absorption spectroscopy; anion recognition; association constant; charge-transfer complex; fluorescence spectroscopy; fluoride; sensor