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Calculations of third-order optical properties of titanyphthalocyanine polymorphs
- 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]
- Subjects :
- *NONLINEAR optics
*SURFACES (Technology)
*CHARGE exchange
Subjects
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