Theoretical investigation on dendritic molecules with large two-photon absorption cross section

Xin Zhou, Ai Min Ren, Ji Kang Feng, Xiao Juan Liu, Gang Zhang

Research output: Contribution to journalArticle

5 Scopus citations

Abstract

The two-photon absorption (TPA) properties of a class of dendritic molecules have been theoretically investigated by using the AM1 and ZINDO methods. The calculated peak TPA cross section values (δmax) are from 2615.36×10-50cm4s/photon to 102222×10-50cm4s/photon. To the best of our knowledge, the gained TPA cross sections are ones of the highest TPA cross section values reported so far. It is found that there is a linear relationship between the maximal TPA cross section and the number of repeated units in chromphores, however, the position of the maximum one-photon absorption peak nearly maintains a constant. This result suggests that it is possible to obtain larger TPA cross section values at no cost of the transparency by means of increasing the number of repeated units in molecules.

Original languageEnglish (US)
Pages (from-to)175-182
Number of pages8
JournalJournal of Molecular Structure: THEOCHEM
Volume672
Issue number1-3
DOIs
StatePublished - Mar 1 2004

All Science Journal Classification (ASJC) codes

  • Biochemistry
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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