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Volumn 27, Issue 24, 2008, Pages 6479-6494

Titanium hydrazides supported by diamide-amine and related ligands: A combined experimental and DFT study

Author keywords

[No Author keywords available]

Indexed keywords

AMIDES; AMINES; DYES; FUNCTIONAL GROUPS; LIGANDS; MOLECULAR ORBITALS; PROBABILITY DENSITY FUNCTION; SILICON NITRIDE; SYNTHESIS (CHEMICAL); THREE DIMENSIONAL; TITANIUM;

EID: 61849085321     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om8007597     Document Type: Article
Times cited : (40)

References (110)
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    • The Organometallic Chemistry of the Transition Metals
    • 4th ed, London
    • Crabtree, R. H. The Organometallic Chemistry of the Transition Metals, 4th ed.; WileyBlackwell: London, 2005.
    • (2005) WileyBlackwell
    • Crabtree, R.H.1
  • 70
    • 61849174779 scopus 로고    scopus 로고
    • Personal communication
    • Gade, L. H. Personal communication.
    • Gade, L.H.1
  • 83
    • 61849142232 scopus 로고    scopus 로고
    • Either strongly to just one Ph ring (e.g., 2, 11, 12) or in an intermediate way to both (e.g., 7, 8, 10)
    • Either strongly to just one Ph ring (e.g., 2, 11, 12) or in an intermediate way to both (e.g., 7, 8, 10)
  • 93
    • 61849179831 scopus 로고    scopus 로고
    • Because of the higher electronegativity of nitrogen, all of the occupied NLMOs have a higher %N contribution than %Ti. Therefore an increased %Ti and decreased %N contribution for a given NLMO on going from one model to another is evidence of improved covalency in the orbital under consideration. From the perspective of fragment MO interactions this relates to a decreased energy separation and/or improved overlap between the participating orbitals.
    • Because of the higher electronegativity of nitrogen, all of the occupied NLMOs have a higher %N contribution than %Ti. Therefore an increased %Ti and decreased %N contribution for a given NLMO on going from one model to another is evidence of improved covalency in the orbital under consideration. From the perspective of fragment MO interactions this relates to a decreased energy separation and/or improved overlap between the participating orbitals.
  • 101
    • 0001567897 scopus 로고    scopus 로고
    • Toupance, T.; Dubberley, S. R.; Rees, N. H.; Tyrrell, B: R.; Mountford, P. Organometallics 2002, 21, 1367.
    • Toupance, T.; Dubberley, S. R.; Rees, N. H.; Tyrrell, B: R.; Mountford, P. Organometallics 2002, 21, 1367.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.