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Volumn 44, Issue 5, 2005, Pages 1367-1380

Fe-N-O structure and bonding in six-coordinate {FeMO}6 porphyrinates containing imidazole: Implications for reactivity of coordinated NO

Author keywords

[No Author keywords available]

Indexed keywords

IMIDAZOLE; PORPHYRIN DERIVATIVE;

EID: 14844288089     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic049045h     Document Type: Article
Times cited : (38)

References (66)
  • 41
    • 0002828451 scopus 로고    scopus 로고
    • Kadish, K. M., Smith, K. M., Guilard, R., Eds.; Academic Press: New York
    • For a review of DFT calculations on porphyrin systems see: Ghosh, A. In The Porphyrin Handbook; Kadish, K. M., Smith, K. M., Guilard, R., Eds.; Academic Press: New York, 2000; Vol. 7, pp 1-38.
    • (2000) The Porphyrin Handbook , vol.7 , pp. 1-38
    • Ghosh, A.1
  • 52
  • 60
    • 14844325594 scopus 로고    scopus 로고
    • note
    • IIINO thiolate systems shows that the singlet electronic state is the ground state for systems in which 〈Fe-N-O ≳ 140°. For 〈Fe-N-O ≲ 135°, the triplet and quintet states become lower in energy. We have not performed calculations on states of higher spin multiplicity for any of our systems as the parameters from the highly bent complexes are not necessary to explain the correlations between indicators of Fe-XO and X-O bond strengths.
  • 64
    • 0004294294 scopus 로고    scopus 로고
    • All MO figures (isosurfaces) were produced with the program MOLEKEL version 4.2 (http://www.cscs.ch/molekel/). Portman, S.; Lüthi, H. P. Chimia 2000, 54, 766-770.
    • MOLEKEL Version 4.2
  • 65
    • 32044459831 scopus 로고    scopus 로고
    • All MO figures (isosurfaces) were produced with the program MOLEKEL version 4.2 (http://www.cscs.ch/molekel/). Portman, S.; Lüthi, H. P. Chimia 2000, 54, 766-770.
    • (2000) Chimia , vol.54 , pp. 766-770
    • Portman, S.1    Lüthi, H.P.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.