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NONLINEAR OPTICAL PROPERTIES OF NOVEL AND EFFECTIVE H-SHAPED CHROMOPHORES CONTAINING THREE PARALLEL AND NON-CONJUGATED D-pi-A UNITS
KTH, School of Biotechnology (BIO), Theoretical Chemistry (closed 20110512).
2011 (English)In: Journal of nonlinear optical physics and materials, ISSN 0218-8635, Vol. 20, no 3, 327-339 p.Article in journal (Refereed) Published
Abstract [en]

H-shaped chromophores containing three parallel non-conjugated D-pi-A units are effective chromophores with high hyperpolarizability and good optical transparency. The semi-empirical methods ZINDO, AM1, MNDO and PM3 were employed to study the effect of strength of acceptors and donors, and steric repulsion between substituents on static first hyperpolarizabilities (beta(0)) and enhancements of beta(0) of the H-shaped chromophores. The results show that the H-shaped chromophore would exhibit the largest beta(0) and/or the largest enhancement of beta(0) of the chromophore when combination of a donor (D) and an acceptor (A) in a D-pi-A unit is suitable.

Place, publisher, year, edition, pages
2011. Vol. 20, no 3, 327-339 p.
Keyword [en]
Nonlinear optical material, H-shaped chromophore, enhancement of the first hyperpolarizability, hyperpolarizability, optical transparency
National Category
Engineering and Technology
Identifiers
URN: urn:nbn:se:kth:diva-51438DOI: 10.1142/S021886351100611XISI: 000296641300007Scopus ID: 2-s2.0-84863130857OAI: oai:DiVA.org:kth-51438DiVA: diva2:464324
Note
QC 20111213Available from: 2011-12-13 Created: 2011-12-12 Last updated: 2017-12-08Bibliographically approved

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