Theoretical study on the structure, spectrum and third-order nonlinear optical property of cyclic dimer of zinc porphyrin containing C 60

Gang Zhang, Xin Zhou, Zhi Liu, Ji Kang Feng, Zhi Shan Bo

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2 Scopus citations

Abstract

The equilibrium geometry of cyclic dimer of zinc porphyrin containing C 60 has been studied by semi-empirical AM1 and PM3 methods. The electronic spectrum and the third-order nonlinear polarizability of this supramolecule were examined by ZINDO-SOS method. At different external field frequencies, the range of calculated third-order nonlinear polarizability is from 48.23 × 10 -34 to 65.15 × 10 -34 esu. The supramolecule would potentially be employed as a kind of nonlinear optical material.

Original languageEnglish (US)
Pages (from-to)1911-1915
Number of pages5
JournalActa Chimica Sinica
Volume61
Issue number12
StatePublished - Dec 1 2003

All Science Journal Classification (ASJC) codes

  • Chemistry(all)

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