Multiphoton Absorption in Expanded Porphyrins

Yuanhang He, Renjie Hui, Yuanping Yi, Zhigang Shuai*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

7 Citations (Scopus)

Abstract

We have calculated the multiphoton absorption cross-sections for three expanded porphyrin derivatives using the sum-over-states-involved tensor approach in combination with the strongly correlated multireference determinant single- and double-configuration interaction method. The calculated results showed that the two- and three-photon energies corresponding to the first peak of the multiphoton absorption spectra showed a decrease (red-shifted) with the number of inserted thiophene groups, whereas the cross sections showed a remarkable increase, particularly for three-photon absorption cross-section. However, the larger twist of the molecular plane for the expanded molecule resulted in an obvious drop in the increasing trend for three-photon absorption cross-section.

Original languageEnglish
Pages (from-to)565-570
Number of pages6
JournalWuli Huaxue Xuebao/ Acta Physico - Chimica Sinica
Volume24
Issue number4
DOIs
Publication statusPublished - Apr 2008

Keywords

  • Multiphoton absorption
  • Multireference determinant configuration interaction method
  • Porphyrin derivatives
  • Sum-over-states-involved tensor approach

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He, Y., Hui, R., Yi, Y., & Shuai, Z. (2008). Multiphoton Absorption in Expanded Porphyrins. Wuli Huaxue Xuebao/ Acta Physico - Chimica Sinica, 24(4), 565-570. https://doi.org/10.1016/S1872-1508(08)60023-6