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Volumn 105, Issue 34, 2001, Pages 8120-8124

Electrochemistry of Nickel and Copper β-octahalogeno-meso-tetraarylporphyrins. Evidence for important role played by saddling-induced metal(dx2-y2)-porphyrin("a2u") orbital interactions

Author keywords

[No Author keywords available]

Indexed keywords

REDOX POTENTIALS;

EID: 0035975472     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp011984x     Document Type: Article
Times cited : (97)

References (40)
  • 2
    • 0042096758 scopus 로고
    • United States Patent, Patent Number: 4,892,941; Jan. 9
    • 8T(p-X-P)P]: 446 (451 for the nitro compound) and 467 ± 2 (two-humped Sorer), 580 ± 1 (Q).
    • (1990)
    • Dolphin, D.1
  • 16
    • 0011428724 scopus 로고    scopus 로고
    • note
    • Cyclic voltammetry was carried out using an EG & G Model 263A Potensiostat with a three-electrode system consisting of a glassy carbon working electrode, a platinum wire counter electrode and a saturated calomel reference electrode (SCE). Tetra-n-butylammonium perchlorate (TBAP) recrystallized from ethanol and dried in a vacuum for at least 1 week was used as supporting electrolyte. Dichloromethane puriss, distilled and kept over molecular sieves was used as solvent. The reference electrode was separated from the bulk solution by a fritted-glass bridge filled with the solvent/supporting electrolyte mixture, and all potentials were referenced to the SCE. Pure nitrogen was bubbled though solutions containing the metalloporphyrins for at least 2 min prior to running the experiments, and the solutions were also protected from air by a nitrogen blanket during the experiment.
  • 17
    • 0011439988 scopus 로고    scopus 로고
    • note
    • 11 program system. Ionization potentials (for ionized final states of different symmetries and orbital occupancies) were calculated via a δSCF procedure.
  • 18
    • 0011383210 scopus 로고    scopus 로고
    • note
    • The ADF program system was obtained from Scientific Computing and Modeling, Department of Theoretical Chemistry, Vrije Universiteit, 1081 HV Amsterdam, The Netherlands. For details of basis sets, grids for numerical integration, etc., the reader is referred to the program manual obtainable from this source.
  • 19
    • 0000865226 scopus 로고
    • For other work on electrochemistry of β-halogenated and saddled porphyrins, see, e.g.: (a) Hodge, J.A.; Hill, M.G.; Gray, H.B. Inorg. Chem. 1995, 34, 809.
    • (1995) Inorg. Chem. , vol.34 , pp. 809
    • Hodge, J.A.1    Hill, M.G.2    Gray, H.B.3
  • 25
    • 0002828451 scopus 로고    scopus 로고
    • Kadish, K.M., Smith, K.M., Guilard, R., Eds.; Academic: San Diego, Chapter 47
    • For reviews of DFT calculations on porphyrins, see: (a) Ghosh, A. In The Porphyrin Handbook; Kadish, K.M., Smith, K.M., Guilard, R., Eds.; Academic: San Diego, 2000; Vol. 7, Chapter 47, p 1.
    • (2000) The Porphyrin Handbook , vol.7 , pp. 1
    • Ghosh, A.1
  • 27
    • 0034323101 scopus 로고    scopus 로고
    • For DFT calculations on nonplanar porphyrin-type molecules, see, in addition to refs 5 and ref 8: (a) Wondimagegn, T.; Ghosh, A. J. Phys. Chem. B 2000, 104, 10858.
    • (2000) J. Phys. Chem. B , vol.104 , pp. 10858
    • Wondimagegn, T.1    Ghosh, A.2
  • 32
    • 0034555507 scopus 로고    scopus 로고
    • For additional references to DFT calculations on transition metal porphyrins see: (a) Ghosh, A.; Gonzalez, E. Isr. J. Chem. 2000, 40, 1.
    • (2000) Isr. J. Chem. , vol.40 , pp. 1
    • Ghosh, A.1    Gonzalez, E.2
  • 37
    • 0005665165 scopus 로고
    • DFT calculations yield extremely precise results for the lower IPs of porphyrins and related molecules, as calibrated against gas-phase photoelectron spectra: (a) Ghosh, A. J. Am. Chem. Soc. 1995, 117, 4691.
    • (1995) J. Am. Chem. Soc. , vol.117 , pp. 4691
    • Ghosh, A.1
  • 39
    • 0011383354 scopus 로고    scopus 로고
    • note
    • +.


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