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Calculations of third-order optical properties of titanyphthalocyanine polymorphs

Authors :
Wu, D.-S.
Cheng, W.-D.
Zhang, H.
Chen, J.-T.
Source :
Chemical Physics Letters. Jan2002, Vol. 351 Issue 5/6, p486. 9p.
Publication Year :
2002

Abstract

We report the dynamic third-order nonlinear optical susceptibilities <f>χ(3)</f> using the INDO/SDCI method coupled with the SOS method for the different forms of PcTiO films. The calculated values of <f>χ(3)</f> at a low frequency are found to decrease in the order <f>α-PcTiO>Y-PcTiO>β-PcTiO</f>, and well corresponded to the varied trends in the measurements. A low space symmetrical structure of <f>α</f>-PcTiO film has the largest magnitude of <f>χ(3)</f>, which is the contribution from the intermolecular interaction. The electron transfers from macrocycle <f>π</f> orbitals to metal Ti 3d orbital make a substantial contribution to the third-order NLO response for the PcTiO. [Copyright &y& Elsevier]

Details

Language :
English
ISSN :
00092614
Volume :
351
Issue :
5/6
Database :
Academic Search Index
Journal :
Chemical Physics Letters
Publication Type :
Academic Journal
Accession number :
7745168
Full Text :
https://doi.org/10.1016/S0009-2614(01)01431-2