Matrix effects on copper(II)phthalocyanine complexes. A combined continuous wave and pulse EPR and DFT study

Physical Chemistry Chemical Physics : PCCP
Cinzia FinazzoArthur Schweiger

Abstract

The effect of the electron withdrawing or donating character of groups located at the periphery of the phthalocyanine ligand, as well as the influence of polar and nonpolar solvents are of importance for the redox chemistry of metal phthalocyanines. Continuous wave and pulse electron paramagnetic resonance and pulse electron nuclear double resonance spectroscopy at X- and Q-band are applied to investigate the electronic structure of the complexes Cu(II)phthalocyanine (CuPc), copper(II) 2,9,16,23-tetra-tert-butyl-29H,31H-phthalocyanine (CuPc(t)), and copper(II) 1,2,3,4,8,9,10,11,15,16,17,18,22,23,24,25-hexadecafluoro-29H,31H-phthalocyanine (CuPc(F)) in various matrices. Isotope substitutions are used to determine the g values, the copper hyperfine couplings and the hyperfine interactions with the 14N, 1H and 19F nuclei of the macrocycle and the surrounding matrix molecules. Simulations and interpretations of the spectra are shown and discussed, and a qualitative analysis of the data using previous theoretical models is given. Density functional computations facilitate the interpretation of the EPR parameters. The experimental g, copper and nitrogen hyperfine and nuclear quadrupole values are found to be sensitive to changes of t...Continue Reading

References

Sep 29, 2005·Journal of Magnetic Resonance·Stefan Stoll, Arthur Schweiger

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Citations

Jul 8, 2009·Journal of Magnetic Resonance·René TschaggelarGunnar Jeschke
Jun 10, 2017·Physical Chemistry Chemical Physics : PCCP·Sabine RichertChristiane R Timmel
Feb 14, 2014·Chemistry : a European Journal·Yoshihiro MatanoHiroshi Imahori
Apr 30, 2017·Chemical Science·Sabine RichertChristiane R Timmel
Jun 20, 2017·Dalton Transactions : an International Journal of Inorganic Chemistry·Zoi G LadaGeorge Mitrikas
Feb 9, 2016·Chemical Communications : Chem Comm·K BaderJ van Slageren
Sep 4, 2013·Dalton Transactions : an International Journal of Inorganic Chemistry·Emma CarterBenjamin D Ward
Aug 7, 2012·Dalton Transactions : an International Journal of Inorganic Chemistry·Mari Elena OwenDamien M Murphy
Mar 27, 2020·Physical Chemistry Chemical Physics : PCCP·Ruben Mirzoyan, Ryan G Hadt
May 25, 2013·Physical Chemistry Chemical Physics : PCCP·Pär HåkanssonEugen Stulz
Aug 2, 2019·Chemical Science·Majed S FataftahDanna E Freedman

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