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Volumn 15, Issue 11-12, 2011, Pages 1335-1344

Substituent effects on metallocorrole spectra: Insights from chromium-oxo and molybdenum-oxo triarylcorroles

Author keywords

charge transfer; chromium; corrole; DFT; molybdenum; TDDFT; triarylcorrole

Indexed keywords


EID: 84855168524     PISSN: 10884246     EISSN: 10991409     Source Type: Journal    
DOI: 10.1142/S1088424611004270     Document Type: Article
Times cited : (33)

References (19)
  • 11
    • 33645928271 scopus 로고    scopus 로고
    • Many metallocorroles are noninnocent; For a review see: Walker FA, Licoccia S and Paolesse R
    • Many metallocorroles are noninnocent; for a review see: Walker FA, Licoccia S and Paolesse R. J. Inorg. Biochem. 2006; 100: 810-837.
    • (2006) J. Inorg. Biochem , vol.100 , pp. 810-837
  • 12
    • 0035836323 scopus 로고    scopus 로고
    • The OPTX exchange functional
    • The OPTX exchange functional: Handy NC and Cohen AJ. Mol. Phys. 2001; 99: 403-412.
    • (2001) Mol. Phys , vol.99 , pp. 403-412
    • Handy, N.C.1    Cohen, A.J.2
  • 13
    • 0345491105 scopus 로고
    • The LYP correlation functional: Lee C, Yang W and Parr RG
    • The LYP correlation functional: Lee C, Yang W and Parr RG. Phys. Rev. B 1988; 37: 785-789.
    • (1988) Phys. Rev. B , vol.37 , pp. 785-789
  • 14
    • 68949147556 scopus 로고    scopus 로고
    • Although all copper corrole structures exhibit saddling, the fact that copper corroles are inherently saddled was first pointed out
    • By 'inherently', we mean that the saddling is due primarily to metal-ligand orbital interactions and is observed even in the absence of sterically hindered substituents
    • Although all copper corrole structures exhibit saddling, the fact that copper corroles are inherently saddled was first pointed out in: Alemayehu A, Gonzalez E, Hansen LK and Ghosh A. Inorg. Chem. 2009; 48: 7794-7799. By 'inherently', we mean that the saddling is due primarily to metal-ligand orbital interactions and is observed even in the absence of sterically hindered substituents.
    • (2009) Inorg. Chem , vol.48 , pp. 7794-7799
    • Alemayehu, A.1    Gonzalez, E.2    Hansen, L.K.3    Ghosh, A.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.