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THE ROLE OF THE METAL AND OF THE SOLVENT ON THE
SECOND ORDER NLO RESPONSE OF 5-4-(DIMETHYLAMIN
O)PHENYLETHYNYL-15- (4-NITROPHENYL)ETHYNYL-1
0,20- DIPHENYLPORPHINATOM(II) (M Ni, Zn) A
DFT, TDDFT AND EFISH INVESTIGATION
Francesca Tessore Dip. Chimica Inorganica
Metallorganica e Analitica UdR INSTM Centro di
Eccellenza CIMaINa dellUniversità degli Studi di
Milano
VI Convegno INSTM Perugia, 12-15 giugno 2007
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b1064 1710 x 10-30 esu
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bEFISH, 1907 124 x 10-30 esu
bEFISH, 1907 66 x 10-30 esu
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bEFISH, 1907 73.2 x 10-30 esu
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IN SUMMARY
Pay attention when comparing results!
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OUR FOCUS
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OUR OBJECTS
M Cu(II), Zn(II), Ni(II)
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OUR WEAPONS
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SYNTHESIS OF THE CHROMOPHORES-1
Ni(II)
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SYNTHESIS OF THE CHROMOPHORES-2
Zn(II)
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De Angelis, F. et al. umpublished results
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DFT RESULTS - GEOMETRY
De Angelis, F. et al. umpublished results
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TDHF AND TDDFT RESULTS ABSORPTION SPECTRA
De Angelis, F. et al. umpublished results
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TDHF AND TDDFT RESULTS ABSORPTION SPECTRA
De Angelis, F. et al. umpublished results
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TDHF AND TDDFT RESULTS HOMO-LUMO
De Angelis, F. et al. umpublished results
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TDHF AND TDDFT RESULTS QUADRATIC
HYPERPOLARIZABILITY
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EFISH TECHNIQUE
gEFISH mbl/5kTg0(-2w w, w, 0)
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EFISH RESULTS ON Zn(II) COMPLEX
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EFISH RESULTS ON Zn(II) COMPLEX
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UV-VIS SPECTRA OF Zn(II) COMPLEX
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EFISH RESULTS ON Ni(II) COMPLEX
mtheor 13.2 D
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UV-VIS SPECTRA OF Ni(II) COMPLEX
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CONCLUSIONS
CONCLUSIONS
Both theoretical and experimental investigation
show that there is no role of the metal in
tuning the second order NLO response of the kind
of porphyrinic chromophores here considered.
An interesting role seems on the contrary to be
played by aggregation processes (different for
Zn(II) and Ni(II) complexes and related to the
solvent), which surely deserve further investigati
on. Porphyrins are interesting substrates for
optical limiting.
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ACKNOWLEDGMENTS