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2015 | 60 | 1 | 51-55
Tytuł artykułu

Mössbauer spectroscopy of reduced forms of a Fe-tetraphenylporphyrine complex

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Języki publikacji
EN
Abstrakty
EN
Molecular and electronic structure changes during successive reduction of a Fe-tetraphenylporphyrin chloride [Fe(III)(TPP):Cl] complex are reported on the basis of Mössbauer spectroscopy and DFT calculations. It is established that the attachment of additional electrons to a neutral Fe(III)(TPP):Cl molecule leads to significant shortening of Fe-N distances at the first stage of the reduction Fe(III)(TPP):Cl → Fe(II)(TPP) and lengthening of these bonds at the second stage Fe(II)(TPP) → Fe(I)(TPP). Changes of other bond lengths of the porphyrin ring also appear but in less degree. Interaction of Fe(II) and Fe(I)(TPP) with tetrahydrofuran (THF) solvent is considered. Electron configuration of Fe(II)(TPP) corresponds to intermediate-spin (S = 1) state and in the case of Fe(I)(TPP) low-spin state (S = ½) is observed. Electron density distribution in Fe(II)- and Fe(I)(TPP) complexes, in association with Mössbauer data, is analyzed. Good correlation between experimental and theoretical results was obtained.
Wydawca

Czasopismo
Rocznik
Tom
60
Numer
1
Strony
51-55
Opis fizyczny
Daty
wydano
2015-03-01
otrzymano
2014-06-18
zaakceptowano
2014-11-15
online
2015-03-12
Twórcy
  • Institute of Physics, Częstochowa University of Technology, 19 Armii Krajowej Ave., 42-200 Częstochowa, Poland, Tel.: +48 34 325 0177, Fax: +48 34 325 0975, kcz@wip.pcz.pl
  • Institute of Physics, Częstochowa University of Technology, 19 Armii Krajowej Ave., 42-200 Częstochowa, Poland, Tel.: +48 34 325 0177, Fax: +48 34 325 0975
  • Institute of Physics, Częstochowa University of Technology, 19 Armii Krajowej Ave., 42-200 Częstochowa, Poland, Tel.: +48 34 325 0177, Fax: +48 34 325 0975
Bibliografia
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  • 2. Kobayashi, N. (2010). Meso-azaporphyrins and their analogues. In K. M. Kadish, K. M. Smith & G. Guilard (Eds.), The porphyrin handbook (Vol. 2, pp. 301–362). New Jersey: World Scientific Publishing Co.
  • 3. Malinowski, T. (2000). Porphyrin-based electrochemical sensors. In K. M. Kadish, K. M. Smith & G. Guilard (Eds.), The porphyrin handbook (Vol. 6, pp. 231–256). San Diego: Academic Press.
  • 4. Gurinovich, G. P., Gurinovich, I. F., Ivashin, N. V., Sinyakov, G. N., Shulga, A. M., Terekhov, S. N., Filatov, I. V., & Dziliński, K. (1988). Electronic structure of metalloporphyrin π-anions. J. Mol. Struct., 172, 317–343. DOI: 10.1016/0022-2860(88)87026-1.[Crossref]
  • 5. Fukuzumi, S. (2003) Electron transfer chemistry of porphyrins and metalloporphyrins. In K. M. Kadish, K. M. Smith & G. Guilard (Eds.), The porphyrin handbook (Vol. 8, pp. 115–151). Amsterdam: Academic Press.
  • 6. Yamaguchi, K., & Morishima, I. (1992). Low-valent iron porphyrins. NMR evidence for π-anion-radical character in two-electron-reduced iron(III) meso- or β-pyrrole-substituted porphyrins. Inorg. Chem., 31, 3216–3222. DOI: 10.1021/ic00041a010.[Crossref]
  • 7. Collman, J. P., Hoard, J. L., Kim, N., Lang, G., & Reed, C. A. (1975). Synthesis, stereochemistry, and structure-related properties of α, β, γ, δ-tetraphenylporphinatoiron(II). J. Am. Chem. Soc., 97, 2676–2681. DOI: 10.1021/ja00843a015.[Crossref]
  • 8. Hu, Ch., Noll, B. C., Schultz, C. E., & Scheidt, W. R. (2007). Four-coordinate iron(II) porphyrinates: Electronic configuration change by intermolecular interaction. Inorg. Chem., 46, 619–621. DOI: 10.1021/ic0620182.[Crossref]
  • 9. Tanaka, K., Elkaim, E., Li, L., Jue, Z. N., Coopens, P., & Landrum, J. (1986). Electron density studies of porphyrins and phthalocyanines. IV. Electron density distribution in crystals of (meso-tetraphenylporphinato) iron(II). J. Chem. Phys., 84, 6969–6978. DOI: 10.1063/1.450617.[Crossref]
  • 10. McGarvey, B. R. (1988). Theory of the temperature dependence of the NMR shift of intermediate spin (S = 1) four-coordinate ferrous porphyrins. Inorg. Chem., 27, 4691–4698. DOI: 10.1021/ic00299a004.[Crossref]
  • 11. Coppens, P., & Li, L. (1984). Electron density studies of porphyrins and phthalocyanines. III. The electronic ground state of iron(II)phthalocyanine. J. Chem. Phys., 81, 1983–1993. DOI: 10.1063/1.447821.[Crossref]
  • 12. Wei, L., She, Y., Yu, Y., Yao, X., & Zhang, S. (2012). Substituent effects on geometric and electronic properties of iron tetraphenylporphyrin: a DFT investigation. J. Mol. Model., 18, 2483–2491. DOI: 10.1007/s00894-011-1279-x.[Crossref][WoS]
  • 13. Liao, M. S., & Scheiner, S. (2002). Electronic structure and bonding in unligated and ligated Fe(II) porphyrins. J. Chem. Phys. 116, 3635–3644. DOI: 10.1063/1.1447902.[Crossref]
  • 14. Reed, C. A., Mashiko, T., Scheidt, W. R., Spartalian, K., & Lang, G. (1980). High-spin iron(II) in the porphyrin plane. Structural characterization of (meso-tetraphenylporphynato) bis(tetrahydofuran)iron(II). J. Am. Chem. Soc., 102, 2302–2306. DOI: 10.1021/ja00527a028.[Crossref]
  • 15. Lecomtr, C., Blessing, R. H., Coppens, P., & Tabard, A. (1986). Electron-density studies of porphyrins and phthalocyanines. Electronic ground state of iron(II) tetraphenylporphyrin bis(tetrahydrofuran). J. Am. Chem. Soc., 108, 6942–6950. DOI: 10.1021/ja00282a019.[Crossref]
  • 16. Kaczmarzyk, T., Jackowski, T., & Dziliński, K. (2007). Spectroscopic characteristics of FeI-phthalocyanine. Nukleonika, 52, 99–103.
  • 17. Debrunner, P. G. (1989). Mössbauer spectroscopy of iron porphyrins. In A. B. P. Lever & H. B. Gray (Eds.), Iron porphyrins (Part III, pp. 140–234). New York: VCH Publishers.
  • 18. Sams, J. R., & Tsin, T. B. (1979). Mössbauer spectroscopy of iron porphyrins. In D. Dolphin (Ed.), The porphyrins (Vol. 4, pp. 425–447). New York: Academic Press.
  • 19. Stanek, J., & Dziedzic-Kocurek, K. (2010). Magnetism of ferriprotoporphyrin IX monomers and dimmers. J. Magn. Magn. Mater., 332, 999–1003. DOI: 10.1016/j.jmmm.2009.12.004.[Crossref]
  • 20. Dziedzic-Kocurek, K., Okła, D., & Stanek, J. (2013). Magnetic interactions in frozen solutions of ironporphyrins. Nukleonika, 58, 83–86.
  • 21. Lang, G., & Spartalian, K. (1978). Mössbauer effect study of the magnetic properties of S = 1 ferrous tetraphenylporphyrin. J. Chem. Phys., 69, 5424–5447. DOI: 10.1063/1.436532.[Crossref]
  • 22. Boyd, P. D. W., & Buckingham, R. F. (1979). Paramagnetic anisotropy, average magnetic susceptibility, and electronic structure of intermediate-spin S = 1 (5,10,15,20-tetraphenylporphyrin)iron(II). Inorg. Chem., 18, 3585–3591. DOI: 10.1021/ic50202a059.[Crossref]
  • 23. Zhan, C. G., Nichols, J. A., & Dixon, D. A. (2003). Ionization potential, electron affinity, electronegativity, hardness and electron excitation energy: Molecular properties from Density Functional Theory orbital energy. J. Phys. Chem. A, 107, 4184–4195. DOI: 10.1021/jp0225774.[Crossref]
  • 24. Khandelwal, S. C., & Roebber, J. L. (1975). The photoelectron spectra of tetraphenylporphine and some metallotetraphenylporphyrins. Chem. Phys. Lett., 34, 355–359. DOI: 10.1016/0009-2614(75)85292-4.[Crossref]
  • 25. Chen, H. L., & Ellis, P. E. (1994). Correlation between gas-phase electron affinities, electrode potentials, and catalytic activities of halogenated metalloporphyrins. J. Am. Chem. Soc., 116, 1086–1089. DOI: 10.1021/ja00082a034.[Crossref]
  • 26. Scheidt, W. R., & Lee, Y. J. (1987). Recent advances in the stereochemistry of metallotetrapyrroles. Struct. Bond., 64, 1–70. DOI: 10.1007/BFb0036789.[Crossref]
Typ dokumentu
Bibliografia
Identyfikatory
Identyfikator YADDA
bwmeta1.element.-psjd-doi-10_1515_nuka-2015-0014
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