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Volumn 128, Issue 51, 2006, Pages 16494-16495

Highly oxidizing excited states of Re and Tc complexes

Author keywords

[No Author keywords available]

Indexed keywords

RHENIUM; TECHNETIUM;

EID: 33845936840     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja067114g     Document Type: Article
Times cited : (36)

References (21)
  • 7
    • 33845945944 scopus 로고
    • Dissertation, University of Cincinnati
    • (b) Vanderheyden, J. L. Dissertation 1985, University of Cincinnati.
    • (1985)
    • Vanderheyden, J.L.1
  • 8
    • 0035963257 scopus 로고    scopus 로고
    • Instrumentation for fluorescence luminescence measurements is described in Wang, Z.; Hemmer, S. L.; Friedrich, D. M.; Joly, A. G. J. Phys. Chem. A 2001, 105, 6020.
    • Instrumentation for fluorescence luminescence measurements is described in Wang, Z.; Hemmer, S. L.; Friedrich, D. M.; Joly, A. G. J. Phys. Chem. A 2001, 105, 6020.
  • 9
    • 33845964441 scopus 로고    scopus 로고
    • Electronic ground state and geometry optimization were carried out using the B3LYP approximation, followed by TDDFT calculation of the lowest excited states employing the same functional. Calculations utilized the 6-31G* basis set for the ligands and the LANL2 relativistic effective core potential (RECP) for the transition metal: Frisch, M. J.; et al. Gaussian 03, revision C.02; Gaussian, Inc.: Wallingford, CT, 2004.
    • Electronic ground state and geometry optimization were carried out using the B3LYP approximation, followed by TDDFT calculation of the lowest excited states employing the same functional. Calculations utilized the 6-31G* basis set for the ligands and the LANL2 relativistic effective core potential (RECP) for the transition metal: Frisch, M. J.; et al. Gaussian 03, revision C.02; Gaussian, Inc.: Wallingford, CT, 2004.
  • 17
    • 0021456218 scopus 로고    scopus 로고
    • Hydrocarbon potentials were taken from Howell, J. O.; Goncalves, J. M.; Amatore, C.; Klasinc, L.; Wightman, R. M.; Kochi, J. K. J. Am. Chem. Soc. 1984, 106, 3968.
    • (b) Hydrocarbon potentials were taken from Howell, J. O.; Goncalves, J. M.; Amatore, C.; Klasinc, L.; Wightman, R. M.; Kochi, J. K. J. Am. Chem. Soc. 1984, 106, 3968.
  • 18
    • 33845948214 scopus 로고    scopus 로고
    • The hydrocarbons in Figure 2b are (1) 10-MePTZ, (2) dimethylaniline, (3) p-dimethoxybenzene, (4) anisole, (5) mesitylene, (6) p-xylene, (7) toluene, and (8) benzene.
    • (c) The hydrocarbons in Figure 2b are (1) 10-MePTZ, (2) dimethylaniline, (3) p-dimethoxybenzene, (4) anisole, (5) mesitylene, (6) p-xylene, (7) toluene, and (8) benzene.
  • 19
    • 33845931840 scopus 로고    scopus 로고
    • -1, consistent with a small reorganizational energy.
    • -1, consistent with a small reorganizational energy.
  • 21
    • 0344001852 scopus 로고    scopus 로고
    • Electronic spectral data for 10-MePTZ is from Wagner, E.; Filipek, S.; Kalinowski, M. Monatsh. Chem. 1988, 119, 929.
    • Electronic spectral data for 10-MePTZ is from Wagner, E.; Filipek, S.; Kalinowski, M. Monatsh. Chem. 1988, 119, 929.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.