Synthesis of charged bis-heteroaryl donor-acceptor (D-A+) NLO-phores coupling (π-deficient-π-excessive) heteroaromatic rings.
Org Biomol Chem
; 11(41): 7145-54, 2013 Nov 07.
Article
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| MEDLINE
| ID: mdl-24057414
ABSTRACT
Charged chromophores based on heteroaromatic cations were prepared by reaction of alkylazinium salts with N-heteroarylstannanes under Stille conditions. This approach provides easy access to potential single donor D-A(+) chromophores in which the acceptor moiety A(+) is the pyridinium cation and the donors are different π-excessive N-heterocycles. The ß hyperpolarizabilities were measured in hyper-Rayleigh scattering experiments and the experimental data are supported by a theoretical analysis that combines a variety of computational procedures, including density functional theory and correlated Hartree-Fock-based methods. In some chromophores, the absence of a bridge between donor and acceptor fragments increases the NLO properties.
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MEDLINE
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En
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Org Biomol Chem
Asunto de la revista:
BIOQUIMICA
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QUIMICA
Año:
2013
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Article