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First hyperpolarizabilities of dipolar, bis-dipolar, and octupolar molecules
Yang, Si Kyung,Ahn, Hyun Cheol,Jeon, Seung-Joon,Asselberghs, Inge,Clays, Koen,Persoons, André,Cho, Bong Rae Elsevier 2005 Chemical physics letters Vol.403 No.1
<P><B>Abstract</B></P><P>A series of dipolar (<B>1</B>), bis-dipolar (<B>2</B>), and octupolar molecules (<B>3</B>) containing 1, 2, and 6 dipolar units within a molecule has been synthesized and their hyperpolarizabilities were analyzed. The <I>β</I><SUB>HRS</SUB> increases in the order, <B>1</B><<B>2</B><<B>3</B>. The ‘monomeric’ <I>β</I><SUB><I>zzz</I></SUB> increases by approximately twofold from <B>1</B> to <B>2</B>, whereas <I>β</I><SUB><I>zzz</I></SUB> of <B>2</B> and <I>β</I><SUB><I>xxx</I></SUB> of <B>3</B> are similar. Noteworthy is the parallel increase in the hyperpolarizability tensor with the <I>λ</I><SUB>max</SUB>.</P>
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 Royal Society of Chemistry 2006 Journal of materials chemistry Vol.16 No.23
<P>A variety of dipolar and octupolar molecules containing C&z.tbd;C bonds as the conjugation bridge have been synthesized and the linear and nonlinear optical properties (<I>β</I>) were studied. The <I>β(0)</I> value of the dipole increases with conjugation length, whereas that of the octupole decreases from 2a to 2b with concomitant decrease in <I>λ</I><SUB>max</SUB>. A further increase in the conjugation length to 3a–c increased <I>β(0)</I> because of the larger oscillator strength. Moreover, 3a with the most distorted structure shows the largest <I>β(0)</I>, probably because of the dipolar contribution. On the other hand, <I>β<SUB>yyy</SUB></I>/<I>β<SUB>zzz</SUB></I> ratios are smaller than unity, probably because <I>β<SUB>zzz</SUB></I> is overestimated by the errors involved in the resonance correction.</P> <P>Graphic Abstract</P><P>Hexa(ethynyl)benzene derivatives have been synthesized and shown to exhibit a large first hyperpolarizability in the range of <I>β(0)</I> = (90–192) × 10<SUP>−30</SUP> esu; values which are among the largest found in the octupolar molecules measured by the frequency-resolved HRS experiments. <IMG SRC='http://pubs.rsc.org/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=b601982j'> </P>