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Appl. Phys. Lett. 55, 534 (1989); http://dx.doi.org/10.1063/1.101846 (3 pages)
Theoretically predicted influence of donors and acceptors on quadratic hyperpolarizabilities in conjugated long‐chain molecules
(Received 16 January 1989; accepted 31 May 1989)
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Add to FacebookThe influence of the substitution positions of donors and acceptors on quadratic hyperpolarizabilities (β) was simulated by the AM1 method using four types of conjugated long‐chain molecules having polydiacetylene structures. The chain‐length dependences of β are greatly affected by the molecular type. The molecule, in which donor‐donor pairs and acceptor‐acceptor pairs alternately appear in the chain, has a narrow energy gap of about 1.6 eV and an exceptionally large β per 10 Å chain length, about 110 times larger than β of 2‐methyl‐4‐nitroaniline.
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