메뉴 건너뛰기




Volumn 48, Issue 24, 2009, Pages 11734-11742

Redox processes in the iron(III)/9,10-phenanthraquinone system

Author keywords

[No Author keywords available]

Indexed keywords

9,10-PHENANTHRENEQUINONE; FERRIC ION; PHENANTHRENE DERIVATIVE; PHENANTHRENEQUINONE;

EID: 73249145073     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic901789h     Document Type: Article
Times cited : (17)

References (60)
  • 24
    • 73249136771 scopus 로고    scopus 로고
    • Most of the fragmentations observed do not correspond to direct bond cleavages but are associated with at least one rearrangement. We therefore refrain from using sophisticated evaluations of the appearance energies 24, 25 and only qualitatively compare various channels
    • 25 and only qualitatively compare various channels.
  • 34
    • 73249119816 scopus 로고    scopus 로고
    • Gaussian 03, revision E.01; Frisch, M. J., Ed.; et al. Gaussian, Inc.: Wallingford, CT, 2004.
    • Gaussian 03, revision E.01; Frisch, M. J., Ed.; et al. Gaussian, Inc.: Wallingford, CT, 2004.
  • 40
    • 73249115839 scopus 로고    scopus 로고
    • We did not investigate the complex with two methanolates, because of the more demanding computations associated with the problem
    • We did not investigate the complex with two methanolates, because of the more demanding computations associated with the problem.
  • 49
    • 73249140204 scopus 로고    scopus 로고
    • The value was obtained by a single-point calculation at the geometry optimized for the corresponding quartet state
    • The value was obtained by a single-point calculation at the geometry optimized for the corresponding quartet state.
  • 50
    • 73249148334 scopus 로고    scopus 로고
    • III (quartet state), and phenanthraquinoneis fully oxidized. The excited sextet state lies 1.26eV higher inenergy (single-point calculation).
    • III (quartet state), and phenanthraquinoneis fully oxidized. The excited sextet state lies 1.26eV higher inenergy (single-point calculation).
  • 58
    • 33746465838 scopus 로고    scopus 로고
    • We note that the intensities of peaks in the experimental IRMPD spectra do not directly correlate with the theoretical IR intensities, because usually many photons are necessary to induce the dissociation. See also: Schroder, D.; Schwarz, H.; Milko, P.; Roithová, J. J. Phys. Chem. A 2006, 110, 8346.
    • We note that the intensities of peaks in the experimental IRMPD spectra do not directly correlate with the theoretical IR intensities, because usually many photons are necessary to induce the dissociation. See also: Schroder, D.; Schwarz, H.; Milko, P.; Roithová, J. J. Phys. Chem. A 2006, 110, 8346.
  • 59
    • 73249144175 scopus 로고    scopus 로고
    • For other examples of low sensitivity of the IRMPD technique towards C-C stretches of aromatic systems, see: (a) Dopfer, O, Lemaire, J, Maître, P, Chiavarino, B, Crestoni, M.-E, Fornarini, S. Int. J. Mass Spectrom. 2006, 149, 249-250
    • For other examples of low sensitivity of the IRMPD technique towards C-C stretches of aromatic systems, see: (a) Dopfer, O.; Lemaire, J.; Maître, P.; Chiavarino, B.; Crestoni, M.-E.; Fornarini, S. Int. J. Mass Spectrom. 2006, 149, 249-250.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.