Mixed electric-magnetic second-order nonlinear optical response of helicenes

Edith Botek, Jean-Marie André, Benoit Champagne, Thierry Verbiest, André Persoons

Research output: Contribution to journalArticle

Abstract

The mixed electric-magnetic second-order nonlinear optical responses of oriented films of helicenes have been computed ab initio using the random phase approximation method and compared to the pure electric-dipole counterpart. It turns out that the mixed electric-magnetic responses can be of the same order of magnitude as the pure electric-dipole counterpart when there is no donor/acceptor (D/A) substituent or these D/A pairs are weak, i.e., when the pure electric-dipole response is small. When adding strong D/A substituents, the pure electric-dipole response increases substantially and much more than its mixed electric-magnetic counterpart. Consequently, the ratio between the mixed electric-magnetic and pure electric responses decreases. Although there is no general rule, the mixed responses evolve as a function of substitution quasi similarly to the pure electric contribution. This study confirms therefore the possibility of tuning the mixed electric-magnetic response by employing appropriate chiral molecules.

Original languageEnglish
Article number234713
JournalThe journal of chemical physics
Volume122
Issue number23
DOIs
Publication statusPublished - 15 Jun 2005

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Substitution reactions
Tuning
Molecules
electric dipoles
helicenes
tuning
substitutes
approximation
molecules

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Mixed electric-magnetic second-order nonlinear optical response of helicenes. / Botek, Edith; André, Jean-Marie; Champagne, Benoit; Verbiest, Thierry; Persoons, André.

In: The journal of chemical physics, Vol. 122, No. 23, 234713, 15.06.2005.

Research output: Contribution to journalArticle

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AU - Botek, Edith

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