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Citation: HE Yuan-Hang, HUI Ren-Jie, YI Yuan-Ping, SHUAI Zhi-Gang. Multiphoton Absorption in Expanded Porphyrins[J]. Acta Physico-Chimica Sinica, ;2008, 24(04): 565-570. doi: 10.1016/S1872-1508(08)60023-6 shu

Multiphoton Absorption in Expanded Porphyrins

1.
School of Aerospace Science and Engineering, Beijing Institute of Technology, Beijing 100081, P. R. China; Institute of Chemistry, Chinese Academy of Sciences, Beijing 100080, P. R. China

Received Date: 24 October 2007
Available Online: 19 February 2008

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.
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