title: Formation of a Nonlinear Optical Host-Guest Hybrid Material by Tight Confinement of LDS 722 into Aluminophosphate 1D Nanochannels.
abstract: In this work, hemicyanine dye LDS 722 is encapsulated into the 1D elliptical nanochannels of MgAPO-11 aluminophosphate by a crystallization inclusion method. The synthesis of the hybrid material has been optimized through a systematic variation of the crystallization conditions in order to obtain pure and large crystals (around 20 μm×30 μm) suitable for optical applications. The tight fitting between the molecular size of the guest dye and the pore dimensions of the host has favored a rigid planar conformation of the dye, restricting its inherent flexibility, which is confirmed by molecular simulations. Consequently, the encapsulation of LDS 722 into MgAPO-11 has led to an astonishing enhancement of the fluorescence with respect to the dye into MgAPO-5, with slightly larger cylindrical channels, and with respect to the dye in solution. Moreover, the perfect alignment of LDS 722 (dye with intrinsic nonlinear-optical properties) along the channels of MgAPO-11 has revealed attractive second-order nonlinear properties, such as second harmonic generation, proven through microscopy measurements in single crystals.
authors.affiliation: Departamento de Química Física, Universidad del País Vasco, UPV/EHU, Apartado 644, 48080, Bilbao, Spain.
authors.forename: Rebeca
authors.initials: R
authors.lastname: Sola-Llano
authors.affiliation: Departamento de Química Física, Universidad del País Vasco, UPV/EHU, Apartado 644, 48080, Bilbao, Spain. virginia.martinez@ehu.eus.
authors.forename: Virginia
authors.identifier: http://orcid.org/0000-0001-7551-3714
authors.initials: V
authors.lastname: Martínez-Martínez
authors.affiliation: Department of Chemistry, Katholieke Universiteit Leuven, Celestijnenlaan 200F, 3001, Heverlee, Belgium.
authors.forename: Yasuhiko
authors.initials: Y
authors.lastname: Fujita
authors.affiliation: Instituto de Catálisis y Petroleoquímica-CSIC, c/Marie Curie 2, 28049, Cantoblanco, Madrid, Spain.
authors.forename: Luis
authors.identifier: http://orcid.org/0000-0002-4960-8709
authors.initials: L
authors.lastname: Gómez-Hortigüela
authors.affiliation: Instituto de Catálisis y Petroleoquímica-CSIC, c/Marie Curie 2, 28049, Cantoblanco, Madrid, Spain.
authors.forename: Almudena
authors.initials: A
authors.lastname: Alfayate
authors.affiliation: Department of Chemistry, Katholieke Universiteit Leuven, Celestijnenlaan 200F, 3001, Heverlee, Belgium.|Research Institute for Electronic Science, Hokkaido University, N20W10, Kita-Ward, 001-0020, Sapporo, Japan.
authors.forename: Hiroshi
authors.initials: H
authors.lastname: Uji-I
authors.affiliation: Department of Chemistry, Katholieke Universiteit Leuven, Celestijnenlaan 200F, 3001, Heverlee, Belgium.
authors.forename: Eduard
authors.initials: E
authors.lastname: Fron
authors.affiliation: Instituto de Catálisis y Petroleoquímica-CSIC, c/Marie Curie 2, 28049, Cantoblanco, Madrid, Spain.
authors.forename: Joaquín
authors.initials: J
authors.lastname: Pérez-Pariente
authors.affiliation: Departamento de Química Física, Universidad del País Vasco, UPV/EHU, Apartado 644, 48080, Bilbao, Spain.
authors.forename: Iñigo
authors.initials: I
authors.lastname: López-Arbeloa
keywords: AEL structure; crystallization inclusion method; dyes/pigments; molecular modeling; nonlinear optics; second harmonic generation