Wyszukiwarka
Theoretical Design of the Molecular Structure of Bent-Core Mesogens with Large Second-Order Nonlinear Optical Properties
Abstrakt
ABSTRACT: The first hyperpolarizability of two series of moleculeswith bent-shaped structures has been calculated at the ab initio level.The two series consist of carboxyl derivatives for which somemolecules are known to exhibit banana phases and of their sulfinatehomologues that have not been synthesized yet. The final purpose isto reveal the relevance or not in synthesizing these latter molecules.The strategy is based on reporting the effect of the positions of donorand acceptor groups on the central benzene ring on the structuralparameters and on the first hyperpolarizabilities. It is shown that inthe sulfinate series the larger first hyperpolarizabilities areincompatible with efficient geometrical character while for the carboxyl series, the opening angle between the molecular armsis typical of banana-shaped molecules but the first hyperpolarizability is only slightly enhanced. Calculations thus reveal that thesulfinate series does not need to be synthesized, whereas they show that our approach can be naturally applied to thedevelopment of new bent-shaped molecules for nonlinear optical applications.
Autorzy (4)
Cytuj jako
Pełna treść
pełna treść publikacji nie jest dostępna w portalu
Słowa kluczowe
Informacje szczegółowe
- Kategoria:
- Publikacja w czasopiśmie
- Typ:
- artykuł w czasopiśmie wyróżnionym w JCR
- Opublikowano w:
-
Journal of Physical Chemistry C
nr 116,
strony 7522 - 7560,
ISSN: 1932-7447 - Język:
- angielski
- Rok wydania:
- 2012
- Opis bibliograficzny:
- Guthmuller J., Champagne B., Perreault F., Soldera A.: Theoretical Design of the Molecular Structure of Bent-Core Mesogens with Large Second-Order Nonlinear Optical Properties// Journal of Physical Chemistry C. -Vol. 116, iss. 113 (2012), s.7522-7560
- Źródła finansowania:
-
- Publikacja bezkosztowa
- Weryfikacja:
- Politechnika Gdańska
wyświetlono 77 razy
Publikacje, które mogą cię zainteresować
Electro-optical transducer based on indium-tin-oxide-coated optical fiber for analysis of ionized media
- P. Sezemsky,
- M. Koba,
- P. Curda
- + 3 autorów
Linear and Nonlinear Optical Properties of Azobenzene Derivatives Modified with an (Amino)naphthalene Moiety
- M. Dudek,
- A. Kaczmarek-Kędziera,
- R. Deska
- + 5 autorów
CdS Nanocrystallines: Synthesis, Structure and Nonlinear Optical Properties
- O. Yanchuk,
- O. Marchuk,
- G. Myronchuk
- + 9 autorów