title: Nonlinear optical properties of ferrocene- and porphyrin-[60]fullerene dyads.
abstract: A series of novel [60]fullerene-ferrocene and [60]fullerene-porphyrin dyads, in which a fullerene and an electron donating moiety are attached through a flexible triethylene glycol linker are synthesized and their nonlinear optical (NLO) response studied. Specifically, the third-order susceptibility chi(3) of all fullerene derivatives are measured in toluene solutions by the optical Kerr effect (OKE) technique using 532 nm, 35 ps laser pulses and their second hyperpolarizability gamma are determined. All fullerene dyads studied exhibit enhancement of their NLO response compared to pristine fullerenes which has been attributed to the formation of a charge separated state. All experimentally measured hyperpolarizability gamma values are also calculated by the semiempirical methods AM1 and PM3. A good correlation is found between the theoretical and experimental values, suggesting that simple semiempirical methods can be employed for the designing and optimization of the fullerene-containing dyads displaying improved nonlinear responses.
authors.affiliation: Institute of Chemical Engineering and High Temperature, Chemical Processes (ICEHT), Foundation for Research and Technology-Hellas (FORTH), P.O. Box 1414, 26504 Patras, Greece.
authors.forename: Evangelia
authors.initials: E
authors.lastname: Xenogiannopoulou
authors.forename: Miroslav
authors.initials: M
authors.lastname: Medved
authors.forename: Kostas
authors.initials: K
authors.lastname: Iliopoulos
authors.forename: Stelios
authors.initials: S
authors.lastname: Couris
authors.forename: Manthos G
authors.initials: MG
authors.lastname: Papadopoulos
authors.forename: Davide
authors.initials: D
authors.lastname: Bonifazi
authors.forename: Chloè
authors.initials: C
authors.lastname: Sooambar
authors.forename: Aurelio
authors.initials: A
authors.lastname: Mateo-Alonso
authors.forename: Maurizio
authors.initials: M
authors.lastname: Prato
mesh_terms: D003198:Computer Simulation; D005296:Ferrous Compounds / Q000737:chemistry*; D037741:Fullerenes / Q000737:chemistry*; D000075163:Metallocenes; D015394:Molecular Structure; D017711:Nonlinear Dynamics; D055095:Optics and Photonics; D011166:Porphyrins / Q000138:chemical synthesis / Q000737:chemistry*; D012996:Solutions
chemical_list: D005296:Ferrous Compounds; D037741:Fullerenes; D000075163:Metallocenes; D011166:Porphyrins; D012996:Solutions; C069837:fullerene C60; C004998:ferrocene