The unexpected similar second-order NLO response for nearly planar and largely twisted push-pull stilbazole chromophores: EFISH and theoretical TD-DFT evidence

Danika Locatelli; Silvio Quici; Dominique Roberto; Filippo De Angelis

doi:10.1039/b509258b

The unexpected similar second-order NLO response for nearly planar and largely twisted push-pull stilbazole chromophores: EFISH and theoretical TD-DFT evidence

Chem Commun (Camb). 2005 Nov 21:(43):5405-7. doi: 10.1039/b509258b. Epub 2005 Oct 4.

Authors

Danika Locatelli¹, Silvio Quici, Dominique Roberto, Filippo De Angelis

Affiliation

¹ Dipartimento di Chimica Inorganica, Metallorganica e Analitica dell' Università di Milano, via Venezian 21, I-20133 Milano, Italy.

PMID: 16261228
DOI: 10.1039/b509258b

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.