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Volumn 9, Issue 15, 2003, Pages 3577-3582

N-heterocyclic carbene functionalized iridium phosphinidene complex [Cp*(NHC)Ir = PMes*]: Comparison of phosphinidene, imido, and carbene complexes

Author keywords

Carbenes; Density functional calculations; Iridium; P ligands

Indexed keywords

CHEMICAL BONDS; COMPLEXATION; CRYSTAL STRUCTURE; IRIDIUM COMPOUNDS; X RAY ANALYSIS;

EID: 0043032829     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/chem.200304744     Document Type: Article
Times cited : (78)

References (55)
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    • Carbene complexes are usually classified in terms of electrophilic (Fischer-type) and nucleophilic (Schrock-type) complexes, depending on the carbene-substituent, the metal and its oxidation state, and the ancillary ligands. Whereas a σ-donor/π-acceptor model appropriately describes the M=C bond in Fischer-type complexes, the M=C bond in Schrock-type complexes should be discussed in terms of a covalent double bond between the triplet carbene and metal fragments For a detailed discussion see: a) T. E. Taylor, M. B. Hall, J. Am. Chem. Soc. 1984, 106, 1576; b) E. A. Carter, W. A. Goddard III, J. Am. Chem. Soc. 1986, 108, 4746; c) S. F. Vyboishchikov, G. Frenking, Chem. Eur. J. 1998, 4, 1428.
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    • Carbene complexes are usually classified in terms of electrophilic (Fischer-type) and nucleophilic (Schrock-type) complexes, depending on the carbene-substituent, the metal and its oxidation state, and the ancillary ligands. Whereas a σ-donor/π-acceptor model appropriately describes the M=C bond in Fischer-type complexes, the M=C bond in Schrock-type complexes should be discussed in terms of a covalent double bond between the triplet carbene and metal fragments For a detailed discussion see: a) T. E. Taylor, M. B. Hall, J. Am. Chem. Soc. 1984, 106, 1576; b) E. A. Carter, W. A. Goddard III, J. Am. Chem. Soc. 1986, 108, 4746; c) S. F. Vyboishchikov, G. Frenking, Chem. Eur. J. 1998, 4, 1428.
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    • Carbene complexes are usually classified in terms of electrophilic (Fischer-type) and nucleophilic (Schrock-type) complexes, depending on the carbene-substituent, the metal and its oxidation state, and the ancillary ligands. Whereas a σ-donor/π-acceptor model appropriately describes the M=C bond in Fischer-type complexes, the M=C bond in Schrock-type complexes should be discussed in terms of a covalent double bond between the triplet carbene and metal fragments For a detailed discussion see: a) T. E. Taylor, M. B. Hall, J. Am. Chem. Soc. 1984, 106, 1576; b) E. A. Carter, W. A. Goddard III, J. Am. Chem. Soc. 1986, 108, 4746; c) S. F. Vyboishchikov, G. Frenking, Chem. Eur. J. 1998, 4, 1428.
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    • note
    • -1) with respect to 4-6. For both the phosphinidene and the imido complex, the M=P bond was optimized in a Z configuration to avoid interactions between the lone pair and the NHC ligand. Both structural as well as electronic features of 4-6 are hardly effected by the rotation of the NHC ligand.
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    • Vrije Universiteit, Amsterdam, The Netherlands
    • c) ADF2002.01, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands, http://www.scm.com/
    • Theoretical Chemistry


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.