title: Nonlinear optical molecular switches as selective cation sensors.
abstract: This work demonstrates that the recognition of cations by molecular switches can give rise to large contrasts of the second-order nonlinear optical (NLO) properties, which can therefore be used as a powerful and multi-usage detection tool. The proof of concept is given by evidencing, by means of ab initio calculations, the ability of spiropyran/merocyanine systems to selectively detect alkali, alkaline earth, and transition-metal cations.
authors.affiliation: Laboratoire de Chimie Théorique, UCPTS, Facultés Universitaires Notre-Dame de la Paix (FUNDP), rue de Bruxelles 61, B-5000 Namur, Belgium. benoit.champagne@fundp.ac.be
authors.forename: Benoît
authors.initials: B
authors.lastname: Champagne
authors.forename: Aurélie
authors.initials: A
authors.lastname: Plaquet
authors.forename: Jean-Luc
authors.initials: JL
authors.lastname: Pozzo
authors.forename: Vincent
authors.initials: V
authors.lastname: Rodriguez
authors.forename: Frédéric
authors.initials: F
authors.lastname: Castet
mesh_terms: D001578:Benzopyrans / Q000737:chemistry; D002412:Cations / Q000032:analysis / Q000737:chemistry; D002623:Chemistry Techniques, Analytical / Q000295:instrumentation*; D007211:Indoles / Q000737:chemistry; D008958:Models, Molecular; D008968:Molecular Conformation; D009574:Nitro Compounds / Q000737:chemistry; D017711:Nonlinear Dynamics; D055620:Optical Phenomena
chemical_list: D001578:Benzopyrans; D002412:Cations; D007211:Indoles; D009574:Nitro Compounds; C548873:merocyanine; C088184:spiropyran