First hyperpolarizabilities of hexa(ethynyl)benzene derivatives: Effect of conjugation length

Ming Jun Piao, Khalil Chajara, Soo Jung Yoon, Hwan Myung Kim, Seung-Joon Jeon, Tae Hyun Kim, Kai Song, Inge Asselberghs, André Persoons, Koen Clays, Bong-Rae Cho

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Abstract

A variety of dipolar and octupolar molecules containing CC bonds as the conjugation bridge have been synthesized and the linear and nonlinear optical properties (β) were studied. The β(0) value of the dipole increases with conjugation length, whereas that of the octupole decreases from 2a to 2b with concomitant decrease in λ max. A further increase in the conjugation length to 3a-c increased β(0) because of the larger oscillator strength. Moreover, 3a with the most distorted structure shows the largest β(0), probably because of the dipolar contribution. On the other hand, β yyyzzz ratios are smaller than unity, probably because β zzz is overestimated by the errors involved in the resonance correction.

Original languageEnglish
Pages (from-to)2273-2281
Number of pages9
JournalJournal of Materials Chemistry
Volume16
Issue number23
DOIs
Publication statusPublished - 2006 Jun 19

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Benzene Derivatives
conjugation
Benzene
Optical properties
benzene
Derivatives
Molecules
oscillator strengths
unity
dipoles
optical properties
molecules

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Materials Chemistry
  • Materials Science(all)

Cite this

First hyperpolarizabilities of hexa(ethynyl)benzene derivatives : Effect of conjugation length. / Piao, Ming Jun; Chajara, Khalil; Yoon, Soo Jung; Kim, Hwan Myung; Jeon, Seung-Joon; Kim, Tae Hyun; Song, Kai; Asselberghs, Inge; Persoons, André; Clays, Koen; Cho, Bong-Rae.

In: Journal of Materials Chemistry, Vol. 16, No. 23, 19.06.2006, p. 2273-2281.

Research output: Contribution to journalArticle

Piao, MJ, Chajara, K, Yoon, SJ, Kim, HM, Jeon, S-J, Kim, TH, Song, K, Asselberghs, I, Persoons, A, Clays, K & Cho, B-R 2006, 'First hyperpolarizabilities of hexa(ethynyl)benzene derivatives: Effect of conjugation length', Journal of Materials Chemistry, vol. 16, no. 23, pp. 2273-2281. https://doi.org/10.1039/b601982j
Piao, Ming Jun ; Chajara, Khalil ; Yoon, Soo Jung ; Kim, Hwan Myung ; Jeon, Seung-Joon ; Kim, Tae Hyun ; Song, Kai ; Asselberghs, Inge ; Persoons, André ; Clays, Koen ; Cho, Bong-Rae. / First hyperpolarizabilities of hexa(ethynyl)benzene derivatives : Effect of conjugation length. In: Journal of Materials Chemistry. 2006 ; Vol. 16, No. 23. pp. 2273-2281.
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AU - Piao, Ming Jun

AU - Chajara, Khalil

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AU - Kim, Hwan Myung

AU - Jeon, Seung-Joon

AU - Kim, Tae Hyun

AU - Song, Kai

AU - Asselberghs, Inge

AU - Persoons, André

AU - Clays, Koen

AU - Cho, Bong-Rae

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