title: The unexpected similar second-order NLO response for nearly planar and largely twisted push-pull stilbazole chromophores: EFISH and theoretical TD-DFT evidence.
abstract: The molecular second-order nonlinear optical properties of planar (E)-4-[2-(4-(N-methyl-N-hexadecylaminophenyl)ethenyl]pyridine (L1) and [cis-Ir(CO)2ClL1] and of the significantly twisted new chromophores (E)-4-[(5,6,7,8-tetrahydro-5-isoquinolylidene)methyl]-N-methyl-N-hexadecylaniline (L2) and [cis-Ir(CO)2ClL2] are reported, evidencing for the first time that planarity of a conventional (donor)(pi-bridge)(acceptor) structure is not compulsory to reach a large NLO response.
authors.affiliation: Dipartimento di Chimica Inorganica, Metallorganica e Analitica dell' Università di Milano, via Venezian 21, I-20133 Milano, Italy.
authors.forename: Danika
authors.initials: D
authors.lastname: Locatelli
authors.forename: Silvio
authors.initials: S
authors.lastname: Quici
authors.forename: Dominique
authors.initials: D
authors.lastname: Roberto
authors.forename: Filippo
authors.initials: F
authors.lastname: De Angelis