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Volumn 24, Issue 21, 2005, Pages 5140-5146

Theoretical studies of cycloaddition reactions of cationic aluminum β-diketiminate alkyl complexes with alkenes and alkynes

Author keywords

[No Author keywords available]

Indexed keywords

ALKYNE COORDINATION; CYCLOADDITION REACTIONS; DIIMINE SPECIESD; VARIABLE SUBSTITUENTS;

EID: 27144536665     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om050577v     Document Type: Article
Times cited : (26)

References (63)
  • 57
    • 27144512937 scopus 로고    scopus 로고
    • a program written by Reinaldo Pis Diez at the National University of La Plata, Argentina
    • MullPop, a program written by Reinaldo Pis Diez at the National University of La Plata, Argentina.
    • MullPop
  • 60
    • 27144466797 scopus 로고    scopus 로고
    • note
    • The entropy contribution is expected to be similar for each case and should not influence these trends in binding strength.
  • 62
    • 27144544176 scopus 로고    scopus 로고
    • note
    • The closest H-H contact between the two isobutylene Me groups decreases from ca. 2.583 Å in 7Ph to ca. 2.499 Å in 7PhCyclo.
  • 63
    • 27144493287 scopus 로고    scopus 로고
    • note
    • The HOMO of the deformed isobutylene is raised in energy by 0.0214 au (atomic units) when compared with that of isobutylene. The HOMO of the deformed ethylene is raised in energy by 0.0180 au when compared with that of ethylene.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.